SCHEMBL1504893

SCHEMBL1504893

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5cccc(C(F)(F)F)c5)sc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.66
KDR P35968 15/20 0.66
AURKA O14965 8/20 0.62
AURKB Q96GD4 8/20 0.62
TEK Q02763 6/20 0.62
PDGFRB P09619 5/20 0.62
BRAF P15056 3/20 0.61
ERBB2 P04626 4/20 0.58
FLT4 P35916 4/20 0.58

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
SCHEMBL1504816 0.94 EGFR (0.67) EGFRKDRAURKAAURKBTEK
SCHEMBL1504960 0.91 EGFR (0.69) EGFRKDRAURKAAURKBTEK
SCHEMBL12507381 0.90 EGFR (0.67) EGFRKDRAURKAAURKBTEK
SCHEMBL2189087 0.90 KDR (0.71) EGFRKDRAURKAAURKBTEK
SCHEMBL1505015 0.89 EGFR (0.70) EGFRKDRAURKAAURKBTEK
SCHEMBL1504997 0.88 EGFR (0.70) EGFRKDRAURKAAURKBTEK
SCHEMBL3948194 0.88 EGFR (0.68) EGFRKDRAURKAAURKBTEK
SCHEMBL3947514 0.88 EGFR (0.65) EGFRKDRAURKAAURKBTEK
SCHEMBL3946804 0.88 EGFR (0.78) EGFRKDRAURKAAURKBTEK
SCHEMBL3944918 0.87 KDR (0.64) EGFRKDRAURKAAURKBTEK

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