Correlation. We compared the pairwise kinase distances between the four different method setups (Figure ). We observed a rather strong correlation between the KiSSim distances and (a) the KLIFS pocket sequence distances (r = 0.77), reflecting the sequencegeneralizing physicochemical features in the KiSSim fingerprint, and (b) the SiteAlign distances (r = 0.73), reflecting the partly shared physicochemical features in KiSSim and SiteAlign (pharmacophoric and size features). In contrast, the correlation between KiSSim and KLIFS IFP distances is low (r = 0.39), possibly reflecting the lack of information on ligand-kinase interaction patterns.