SCHEMBL4590707

SCHEMBL4590707

COc1ccc(C)cc1NC(=O)Nc1ccc2nc(Nc3ncnc4cc(OCCCC5CCNC5)c(OC)cc34)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.46
EGFR P00533 16/20 0.46
FGFR1 P11362 3/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
BRAF P15056 1/20 0.44
IGF1R P08069 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CDK2 P24941 1/20 0.42
CSK P41240 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
AURKB Q96GD4 1/20 0.42
ERBB2 P04626 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4590535 0.89 KDR (0.52) KDREGFRFGFR1FLT1FLT4
SCHEMBL4589861 0.89 KDR (0.55) KDREGFRFGFR1FLT4BRAF
SCHEMBL4590825 0.87 AURKA (0.53) KDREGFRFGFR1BRAFIGF1R
SCHEMBL4590725 0.86 KDR (0.56) KDREGFRFGFR1FLT1FLT4
SCHEMBL3945407 0.86 KDR (0.54) KDREGFR
SCHEMBL3944337 0.85 KDR (0.44) KDREGFRFGFR1FLT1FLT4
SCHEMBL3951047 0.85 EGFR (0.49) KDREGFRBRAFERBB2
SCHEMBL3951600 0.84 KDR (0.49) KDREGFRBRAFERBB2
SCHEMBL3948584 0.84 KDR (0.58) KDREGFRFLT1FLT4BRAF
SCHEMBL3944324 0.84 KDR (0.61) KDREGFRFGFR1FLT1FLT4

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