DeepKinomeWeb: a quantitative, panel-level platform for kinase inhibitor screening and selectivity profiling

Protein kinases are central targets in drug discovery, yet early-stage development of potent and selective inhibitors remains challenging due to high experimental costs and limited interpretability of large-scale screening data. Here, we present DeepKinomeWeb, an integrated web-based platform that transforms competition-based high-throughput screening data into actionable insights for kinase inhibitor prioritization. Built upon our previously validated deep learning regression model, DeepKinome, the platform enables quantitative prediction of kinase-inhibitor binding affinities and provides panel-level visualization of selectivity landscapes, selectivity metric calculations, and integrated structural and physicochemical analyses. Through its user-friendly interface, DeepKinomeWeb supports rational, data-driven decision-making for biologists and medicinal chemists, lowering the barrier to systematic selectivity assessment in kinase inhibitor discovery. DeepKinomeWeb is freely available to all users without any login requirement at https://str.kribb.re.kr/deepkinome.

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Publication Details

Journal
Nucleic Acids Research
Published
2026-04-16
DOI
https://doi.org/10.1093/nar/gkag393
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00

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article

DeepKinomeWeb: a quantitative, panel-level platform for kinase inhibitor screening and selectivity profiling

나현수, Hyeyun Cho, Seungyoon Nam, Yeeun Lee et al.
Nucleic Acids Research
Computational Drug Discovery Methods
article

DeepKinomeWeb: a quantitative, panel-level platform for kinase inhibitor screening and selectivity profiling

나현수, Hyeyun Cho, Seungyoon Nam, Yeeun Lee, Seunghoon Yang, Jisu Eun, Jinhyuk Lee, Donghwan Choi
article en

Abstract

Protein kinases are central targets in drug discovery, yet early-stage development of potent and selective inhibitors remains challenging due to high experimental costs and limited interpretability of large-scale screening data. Here, we present DeepKinomeWeb, an integrated web-based platform that transforms competition-based high-throughput screening data into actionable insights for kinase inhibitor prioritization. Built upon our previously validated deep learning regression model, DeepKinome, the platform enables quantitative prediction of kinase-inhibitor binding affinities and provides panel-level visualization of selectivity landscapes, selectivity metric calculations, and integrated structural and physicochemical analyses. Through its user-friendly interface, DeepKinomeWeb supports rational, data-driven decision-making for biologists and medicinal chemists, lowering the barrier to systematic selectivity assessment in kinase inhibitor discovery. DeepKinomeWeb is freely available to all users without any login requirement at https://str.kribb.re.kr/deepkinome.

Nucleic Acids Research
Gachon University (KR), Korea Research Institute of Bioscience and Biotechnology (KR), Korea University of Science and Technology (KR)
Korea Research Institute of Bioscience and Biotechnology, Ministry of Science and ICT, South Korea
Peace, Justice and strong institutions
Openalex Percentile: Top 5%
Computational Drug Discovery Methods
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