SCHEMBL1504928

SCHEMBL1504928

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5ccc6c(c5)OCCO6)sc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.64
KDR P35968 17/20 0.64
SRC P12931 1/20 0.60
AURKA O14965 7/20 0.59
TEK Q02763 7/20 0.59
AURKB Q96GD4 6/20 0.59
ERBB2 P04626 6/20 0.59
FLT4 P35916 5/20 0.59
PDGFRB P09619 6/20 0.58
BRAF P15056 1/20 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
SCHEMBL1505015 0.89 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL1504997 0.89 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL1504960 0.89 EGFR (0.69) EGFRKDRSRCAURKATEK
SCHEMBL1504816 0.87 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL2189126 0.87 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL12507381 0.86 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL13761500 0.86 EGFR (0.66) EGFRKDRAURKATEKAURKB
SCHEMBL1504893 0.86 EGFR (0.66) EGFRKDRAURKATEKAURKB
SCHEMBL3946804 0.86 EGFR (0.78) EGFRKDRAURKATEKAURKB
SCHEMBL1504846 0.86 EGFR (0.67) 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