SCHEMBL1504836

SCHEMBL1504836

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5cccc(C)c5)sc4c3)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.71
EGFR P00533 17/20 0.71
BRAF P15056 3/20 0.71

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 0.93 EGFR (0.71) KDREGFRBRAF
SCHEMBL1504863 0.91 KDR (0.58) KDREGFRBRAF
SCHEMBL3947459 0.89 KDR (0.61) KDREGFRBRAF
SCHEMBL1504807 0.89 EGFR (0.61) KDREGFRBRAF
SCHEMBL1504947 0.89 KDR (0.62) KDREGFRBRAF
SCHEMBL1504960 0.89 EGFR (0.69) KDREGFRBRAF
SCHEMBL3953826 0.89 AURKA (0.63) KDREGFRBRAF
SCHEMBL3948584 0.88 KDR (0.58) KDREGFRBRAF
SCHEMBL1505014 0.88 EGFR (0.60) KDREGFR
SCHEMBL3954388 0.87 EGFR (0.59) KDREGFRBRAF

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