Figure 2.

Analysis scheme. For a given cell line, screening compounds (hits, colored in blue; inactive compounds, pink) and bioactive compounds from ChEMBL (green) were pooled. From this compound pool, analog series were extracted (depicted as clusters) and series yielding ASB scaffolds (orange) identified. ASB scaffolds resulting from series containing screening hits and ChEMBL compounds (i.e., ASB₃ and ASB₄) were determined. Target annotations of all bioactive compounds represented by the shared ASB scaffolds were assembled and the union of these targets (i.e., T1, T2, and T3) was assigned to screening hits of this cell line.