SCHEMBL14409934

SCHEMBL14409934

Cc1c(C(=O)NCC2CC2)c2ccc(Oc3ccnc4cc(C(=O)N5CCCC5)sc34)cc2n1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.44
MET P08581 4/20 0.44
FLT1 P17948 14/20 0.43
AURKA O14965 1/20 0.41
LCK P06239 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL5240438 0.92 KDR (0.46) KDRMETFLT1AURKALCK
SCHEMBL5240496 0.89 KDR (0.45) KDRMETFLT1
SCHEMBL14409832 0.88 KDR (0.45) KDRMETFLT1
SCHEMBL5888652 0.88 KDR (0.49) KDRMETFLT1
SCHEMBL5244749 0.87 KDR (0.47) KDRMETFLT1
SCHEMBL5240238 0.86 KDR (0.45) KDRMETFLT1
SCHEMBL5243763 0.85 KDR (0.45) KDRMETFLT1
SCHEMBL14409901 0.85 KDR (0.44) KDRMETFLT1AURKALCK
SCHEMBL5242184 0.84 KDR (0.46) KDRMETFLT1
SCHEMBL5244328 0.83 MET (0.49) KDRMETFLT1AURKALCK

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
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 EP disclosed