(3.1) Subpocket center calculation. The six subpocket centers are calculated for the binding site of the respective kinase structure (see "(2) Subpocket definition and allowed connections"). ) The BRICS algorithm is used for an initial fragmentation. The resulting BRICS fragments are then assigned to the closest subpocket. (3) Finally, the molecule is fragmented only at those bonds that separate fragments assigned to two subpockets.( ) At the fragmented bonds, the information on the originally adjacent subpocket is stored. structural features of organic compounds stay intact, increasing the chance of synthetic accessibility of the recombined fragments.