SCHEMBL1504807

SCHEMBL1504807

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5ccsc5)sc4c3)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.61
KDR P35968 17/20 0.61
AURKA O14965 5/20 0.57
TEK Q02763 5/20 0.57
AURKB Q96GD4 5/20 0.57
ERBB2 P04626 4/20 0.57
FLT4 P35916 4/20 0.57
PDGFRB P09619 4/20 0.56
BRAF P15056 1/20 0.56

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
SCHEMBL1504794 0.92 EGFR (0.71) EGFRKDRAURKATEKAURKB
SCHEMBL1505014 0.89 EGFR (0.60) EGFRKDRAURKATEKAURKB
SCHEMBL1504836 0.89 KDR (0.71) EGFRKDRBRAF
SCHEMBL1504863 0.88 KDR (0.58) EGFRKDRFLT4BRAF
SCHEMBL1504997 0.87 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL1505015 0.87 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL1504947 0.86 KDR (0.62) EGFRKDRAURKATEKAURKB
SCHEMBL3946268 0.86 AURKA (0.64) EGFRKDRAURKATEKAURKB
SCHEMBL1504816 0.86 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL1504960 0.86 EGFR (0.69) EGFRKDRAURKATEKAURKB

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