SCHEMBL4590535

SCHEMBL4590535

COc1cc2c(Nc3nc4ccc(NC(=O)Nc5ccc(F)cc5F)cc4s3)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.52
EGFR P00533 6/20 0.50
FLT4 P35916 5/20 0.50
FGFR1 P11362 5/20 0.50
FLT1 P17948 5/20 0.50
AURKB Q96GD4 2/20 0.46
IGF1R P08069 1/20 0.46
SRC P12931 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
CDK2 P24941 1/20 0.46
CSK P41240 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
AURKA O14965 5/20 0.45
ERBB2 P04626 1/20 0.45
PDGFRB P09619 1/20 0.45
TEK Q02763 1/20 0.45
HDAC3 O15379 2/20 0.44

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
SCHEMBL4590707 0.89 KDR (0.46) KDREGFRFLT4FGFR1FLT1
SCHEMBL4589861 0.89 KDR (0.55) KDREGFRFLT4FGFR1AURKB
SCHEMBL4590725 0.86 KDR (0.56) KDREGFRFLT4FGFR1FLT1
SCHEMBL4590825 0.86 AURKA (0.53) KDREGFRFGFR1AURKBIGF1R
SCHEMBL3945749 0.84 KDR (0.63) KDREGFRFLT4FGFR1FLT1
SCHEMBL3953822 0.84 EGFR (0.67) KDREGFRFLT4FGFR1FLT1
SCHEMBL3954134 0.80 EGFR (0.54) KDREGFRFLT4AURKBAURKA
SCHEMBL3947707 0.80 EGFR (0.63) KDREGFRFLT4FGFR1FLT1
SCHEMBL13868777 0.80 EGFR (0.68) KDREGFRFLT4AURKBAURKA
SCHEMBL3946268 0.78 AURKA (0.64) KDREGFRFLT4FLT1AURKB

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