SCHEMBL4590725

SCHEMBL4590725

COc1cc2ncnc(Nc3nc4ccc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cc4s3)c2cc1OCCCC1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.56
EGFR P00533 6/20 0.56
BRAF P15056 6/20 0.56
EPHA2 P29317 3/20 0.52
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
RAF1 P04049 2/20 0.46
EPHB4 P54760 1/20 0.45
KIT P10721 1/20 0.44
FGFR1 P11362 1/20 0.43

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
SCHEMBL4589861 0.87 KDR (0.55) KDREGFRBRAFFLT4RAF1
SCHEMBL3948976 0.87 BRAF (0.60) KDREGFRBRAFEPHA2CA2
SCHEMBL4590535 0.86 KDR (0.52) KDREGFREPHA2FLT1FLT4
SCHEMBL4590707 0.86 KDR (0.46) KDREGFRBRAFFLT1FLT4
SCHEMBL3948346 0.86 EGFR (0.60) KDREGFRBRAFCA2CA9
SCHEMBL4590825 0.85 AURKA (0.53) KDREGFRBRAFKITFGFR1
SCHEMBL3947811 0.85 KDR (0.59) KDREGFRBRAFCA2CA9
SCHEMBL3947634 0.85 KDR (0.72) KDREGFRBRAFFLT1FLT4
SCHEMBL3945598 0.85 KDR (0.72) KDREGFRBRAFFLT1FLT4
SCHEMBL3953829 0.84 KDR (0.71) KDREGFRBRAFFLT1FLT4

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
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed