SCHEMBL4589861

SCHEMBL4589861

COc1cccc(NC(=O)Nc2ccc3nc(Nc4ncnc5cc(OCCCC6CCNC6)c(OC)cc45)sc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.55
AURKA O14965 4/20 0.52
FLT4 P35916 3/20 0.50
PDGFRB P09619 2/20 0.50
RAF1 P04049 2/20 0.47
EGFR P00533 7/20 0.47
SRC P12931 2/20 0.46
AURKB Q96GD4 2/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 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
KIT P10721 1/20 0.46
BRAF P15056 2/20 0.45
ERBB2 P04626 1/20 0.45

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
SCHEMBL4590825 0.92 AURKA (0.53) KDRAURKAEGFRSRCAURKB
SCHEMBL4590535 0.89 KDR (0.52) KDRAURKAFLT4PDGFRBEGFR
SCHEMBL4590707 0.89 KDR (0.46) KDRFLT4EGFRSRCAURKB
SCHEMBL4590725 0.87 KDR (0.56) KDRFLT4RAF1EGFRFGFR1
SCHEMBL3946532 0.86 KDR (0.74) KDRFLT4PDGFRBRAF1EGFR
SCHEMBL3953837 0.85 KDR (0.62) KDRAURKAFLT4PDGFRBRAF1
SCHEMBL3947313 0.84 KDR (0.62) KDRAURKAFLT4PDGFRBRAF1
SCHEMBL3947459 0.84 KDR (0.61) KDRAURKAFLT4PDGFRBRAF1
SCHEMBL3947281 0.83 EGFR (0.69) KDRAURKAFLT4PDGFRBEGFR
SCHEMBL3949805 0.82 KDR (0.70) KDRAURKAEGFRSRCAURKB

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