SCHEMBL1504860

SCHEMBL1504860

COc1cccc(CNC(=O)Nc2nc3ccc(Nc4ncnc5cc(OCCCN6CCN(C)CC6)c(OC)cc45)cc3s2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.64
KDR P35968 17/20 0.64
AURKA O14965 10/20 0.64
TEK Q02763 10/20 0.64
AURKB Q96GD4 9/20 0.64
ERBB2 P04626 9/20 0.64
FLT4 P35916 7/20 0.64
PDGFRB P09619 9/20 0.59

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
SCHEMBL1504960 0.91 EGFR (0.69) EGFRKDRAURKATEKAURKB
SCHEMBL1504987 0.90 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL1505016 0.89 EGFR (0.64) EGFRKDRAURKATEKAURKB
SCHEMBL1504841 0.88 EGFR (0.66) EGFRKDRAURKATEKAURKB
SCHEMBL1504846 0.87 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL3947281 0.87 EGFR (0.69) EGFRKDRAURKATEKAURKB
SCHEMBL2189126 0.86 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL1504819 0.85 EGFR (0.79) EGFRKDRAURKATEKAURKB
SCHEMBL3947486 0.85 EGFR (0.68) EGFRKDRAURKATEKAURKB
SCHEMBL2190824 0.84 EGFR (0.78) 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