SCHEMBL1504849

SCHEMBL1504849

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5cc(C)ccc5F)sc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.67
KDR P35968 18/20 0.67
AURKA O14965 9/20 0.61
TEK Q02763 9/20 0.61
AURKB Q96GD4 9/20 0.61
PDGFRB P09619 8/20 0.61
FLT4 P35916 7/20 0.61
ERBB2 P04626 6/20 0.61

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
SCHEMBL1504947 0.96 KDR (0.62) EGFRKDRAURKATEKAURKB
SCHEMBL3954550 0.95 EGFR (0.67) EGFRKDRAURKATEKAURKB
4Sc-203 SCHEMBL29370845 0.94 EGFR (0.64) EGFRKDRAURKATEKAURKB
4Sc-203 SCHEMBL1505017 0.94 EGFR (0.64) EGFRKDRAURKATEKAURKB
SCHEMBL1505015 0.91 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL13868777 0.90 EGFR (0.68) EGFRKDRAURKATEKAURKB
SCHEMBL1504863 0.90 KDR (0.58) EGFRKDRFLT4
SCHEMBL3948294 0.89 EGFR (0.65) EGFRKDRAURKATEKAURKB
SCHEMBL1504819 0.89 EGFR (0.79) EGFRKDRAURKATEKAURKB
SCHEMBL2189126 0.89 EGFR (0.70) 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 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