Figure 1From: Ligand scaffold hopping combining 3D maximal substructure search and molecular similarityBest co-active hit alignments. The green carbon molecules represent the query molecule, cyan-, pink- and yellow-carbon molecules are respectively the 1st, 2nd and 3rd co-active molecules found by LigCSRre. Panel A (CDK2), panel B (FXa), panel C (NA).Back to article page