SCHEMBL1505089

SCHEMBL1505089

COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.56
EGFR P00533 14/20 0.56
CLK1 P49759 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3945407 0.93 KDR (0.54) KDREGFR
SCHEMBL1504837 0.91 NTRK1 (0.53) KDREGFRABCG2
SCHEMBL1504863 0.89 KDR (0.58) KDREGFR
4Sc-203 SCHEMBL29370845 0.88 EGFR (0.64) KDREGFR
4Sc-203 SCHEMBL1505017 0.88 EGFR (0.64) KDREGFR
SCHEMBL3951600 0.86 KDR (0.49) KDREGFR
SCHEMBL3951047 0.85 EGFR (0.49) KDREGFR
SCHEMBL3949246 0.83 KDR (0.60) KDREGFR
SCHEMBL3948584 0.83 KDR (0.58) KDREGFR
SCHEMBL3948811 0.83 KDR (0.60) KDREGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011033094-A1 SCHEDULE OF ADMINISTRATION OF BENZAZOLE DERIVATIVES IN THE TREATMENT OF LEUKEMIAS 4SC AG (DE) 2011-03-24 WO claimed