SCHEMBL1504863

SCHEMBL1504863

COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3ncnc4cc(OCCCN5CCCC5)c(OC)cc34)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.58
EGFR P00533 16/20 0.58
BRAF P15056 1/20 0.58
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55

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
4Sc-203 SCHEMBL29370845 0.95 EGFR (0.64) KDREGFRFLT4
4Sc-203 SCHEMBL1505017 0.95 EGFR (0.64) KDREGFRFLT4
SCHEMBL3948584 0.95 KDR (0.58) KDREGFRBRAFFLT1FLT4
SCHEMBL1504947 0.94 KDR (0.62) KDREGFRBRAFFLT1FLT4
SCHEMBL1504836 0.91 KDR (0.71) KDREGFRBRAF
SCHEMBL3948294 0.90 EGFR (0.65) KDREGFRBRAFFLT4
SCHEMBL1504849 0.90 EGFR (0.67) KDREGFRFLT4
SCHEMBL1504794 0.89 EGFR (0.71) KDREGFRBRAFFLT4
SCHEMBL3946971 0.89 EGFR (0.67) KDREGFRBRAF
SCHEMBL1505089 0.89 KDR (0.56) KDREGFR

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