Accelerating compound repositioning and lead identification strategies

Application: Kinome-specific drug discovery process.
Unmet need: Faster screening process.
IP Status: Commercial licenses to VKP source code are available (free academic use).
Project phase: Ready for use.

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Virtual Kinome Profiler (VKP) is a web application that enables users to virtually profile their compound of interest across a set of 248 druggable kinases. The platform is based on an ensemble machine learning algorithm model that captures the chemical similarity and dissimilarity space of the kinome to predict novel compound-kinase associations. VPK is designed to expedite and augment the kinome-specific drug discovery process significantly overcoming the intrinsic limitations of time and cost accompanying traditional drug discovery protocol. The potential applications of VKP includes both drug repositioning and lead screening studies.

Tero Aittokallio & Balaguru Ravikumar
University of Helsinki, Institute for Molecular Medicine Finland

Ravikumar, B. et al., 2019. Chemogenomic analysis of the druggable kinome and its application to repositioning and lead identification studies. Cell Chemical Biology, (manuscript accepted-in preprint).