SCHEMBL6470952

SCHEMBL6470952

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCNC(C)(C)[C](C(C)(C)C)C(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.78
AURKB Q96GD4 6/20 0.67
EGFR P00533 2/20 0.67
IGF1R P08069 1/20 0.67
FGFR1 P11362 1/20 0.67
SRC P12931 1/20 0.67
FGFR2 P21802 1/20 0.67
FGFR4 P22455 1/20 0.67
FGFR3 P22607 1/20 0.67
CDK2 P24941 1/20 0.67
KDR P35968 1/20 0.67
CSK P41240 1/20 0.67
JAK3 P52333 1/20 0.67
PTK2 Q05397 1/20 0.67
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55
FLT3 P36888 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
SCHEMBL5049592 0.91 AURKA (0.81) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL6470959 0.89 AURKA (0.75) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5025165 0.88 AURKA (0.87) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL3882448 0.88 AURKA (0.75) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5041455 0.86 AURKA (0.72) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL3888191 0.85 AURKA (0.84) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL6470601 0.84 AURKA (0.77) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5045537 0.83 AURKA (0.66) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5046812 0.83 AURKB (0.85) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5049569 0.83 AURKA (0.78) AURKAAURKBEGFRIGF1RFGFR1

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-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed