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SCHEMBL1505015

SCHEMBL1505015

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5ccc(F)c(F)c5)sc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.70
▸ KDR P35968 16/20 0.70
▸ AURKA O14965 9/20 0.64
▸ TEK Q02763 9/20 0.64
▸ AURKB Q96GD4 8/20 0.64
▸ PDGFRB P09619 8/20 0.64
▸ ERBB2 P04626 7/20 0.64
▸ FLT4 P35916 6/20 0.64
▸ BRAF P15056 1/20 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
SCHEMBL1504849 0.91 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL1504997 0.91 EGFR (0.70) EGFRKDRAURKATEKAURKB
SCHEMBL1504816 0.90 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL1504960 0.90 EGFR (0.69) EGFRKDRAURKATEKAURKB
SCHEMBL3946948 0.90 EGFR (0.68) EGFRKDRAURKATEKAURKB
SCHEMBL13868777 0.90 EGFR (0.68) EGFRKDRAURKATEKAURKB
SCHEMBL12507381 0.89 EGFR (0.67) EGFRKDRAURKATEKAURKB
SCHEMBL13761500 0.89 EGFR (0.66) EGFRKDRAURKATEKAURKB
SCHEMBL1504893 0.89 EGFR (0.66) EGFRKDRAURKATEKAURKB
SCHEMBL1504928 0.89 EGFR (0.64) 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 disclosed