SCHEMBL7002978

SCHEMBL7002978

Cc1cc2cc(Nc3ccnc4cc(C(=O)N5CCC(NC(=O)OC(C)(C)C)C5)sc34)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.45
FLT1 P17948 7/20 0.45
PARP1 P09874 2/20 0.43
CFTR P13569 1/20 0.41
ADORA2A P29274 7/20 0.40
ADORA2B P29275 5/20 0.40
ADORA3 P0DMS8 2/20 0.40
MKNK1 Q9BUB5 3/20 0.38

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
SCHEMBL6310388 0.90 FLT1 (0.48) EGFRFLT1ADORA2BADORA3
SCHEMBL6302174 0.89 EGFR (0.44) EGFRFLT1ADORA2AADORA2BMKNK1
SCHEMBL6623990 0.89 FLT1 (0.47) EGFRFLT1
SCHEMBL6303870 0.88 EGFR (0.49) EGFRFLT1
SCHEMBL6302403 0.86 FLT1 (0.51) EGFRFLT1ADORA2AADORA2B
SCHEMBL6302384 0.86 FLT1 (0.51) EGFRFLT1ADORA2AADORA2B
SCHEMBL6309330 0.86 FLT1 (0.51) EGFRFLT1ADORA2AADORA2B
SCHEMBL6301857 0.85 FLT1 (0.49) EGFRFLT1ADORA2AADORA2BADORA3
SCHEMBL6301850 0.85 FLT1 (0.49) EGFRFLT1ADORA2AADORA2BADORA3
SCHEMBL6302228 0.85 EGFR (0.49) EGFRFLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287001-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2003-03-05 EP disclosed
WO-2001094353-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2001-12-13 WO disclosed