SCHEMBL6469883

SCHEMBL6469883

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(OP(=O)(OC2CCN(CCCOc3cc4ncnc(Nc5ncc(CC(=O)Nc6cccc(F)c6)s5)c4cc3OC)C2)OC2CCN(CCCOc3cc4ncnc(Nc5ncc(CC(=O)Nc6cccc(F)c6)s5)c4cc3OC)C2)C1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.80
KDR P35968 2/20 0.80
EGFR P00533 1/20 0.80
IGF1R P08069 1/20 0.80
FGFR1 P11362 1/20 0.80
SRC P12931 1/20 0.80
FGFR2 P21802 1/20 0.80
FGFR4 P22455 1/20 0.80
FGFR3 P22607 1/20 0.80
CDK2 P24941 1/20 0.80
CSK P41240 1/20 0.80
JAK3 P52333 1/20 0.80
PTK2 Q05397 1/20 0.80
AURKA O14965 17/20 0.72
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52

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
SCHEMBL3885117 0.96 AURKB (0.79) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5045372 0.95 AURKB (0.75) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5041485 0.92 AURKB (0.76) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5041115 0.92 AURKB (0.83) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5049481 0.92 AURKB (0.72) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5041345 0.92 AURKB (0.79) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5042214 0.91 AURKB (0.84) AURKBKDREGFRIGF1RFGFR1
SCHEMBL27740598 0.91 AURKB (0.78) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5045676 0.90 AURKB (0.88) AURKBKDREGFRIGF1RFGFR1
SCHEMBL5041520 0.89 AURKB (0.80) AURKBKDREGFRIGF1RFGFR1

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