SCHEMBL6469870

SCHEMBL6469870

COc1cc2c(Nc3ncc(CC(=O)Nc4ccc(F)cc4F)s3)ncnc2cc1OCCCN1CCCCC1CCOP(=O)(OCCC1CCCCN1CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4ccc(F)cc4F)s3)c2cc1OC)OCCC1CCCCN1CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4ccc(F)cc4F)s3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.70
AURKB Q96GD4 4/20 0.58
EGFR P00533 2/20 0.58
FGFR1 P11362 2/20 0.58
KDR P35968 2/20 0.58
IGF1R P08069 1/20 0.58
SRC P12931 1/20 0.58
FGFR2 P21802 1/20 0.58
FGFR4 P22455 1/20 0.58
FGFR3 P22607 1/20 0.58
CDK2 P24941 1/20 0.58
CSK P41240 1/20 0.58
JAK3 P52333 1/20 0.58
PTK2 Q05397 1/20 0.58
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
RET P07949 1/20 0.45
KIF5B P33176 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
SCHEMBL3889012 0.96 AURKA (0.69) AURKAAURKBEGFRFGFR1KDR
SCHEMBL5048953 0.96 AURKA (0.66) AURKAAURKBEGFRFGFR1KDR
SCHEMBL5046330 0.93 AURKA (0.73) AURKAAURKBEGFRFGFR1KDR
SCHEMBL3883357 0.91 AURKA (0.70) AURKAAURKBEGFRFGFR1KDR
SCHEMBL4048938 0.90 AURKA (0.75) AURKAAURKBEGFRFGFR1KDR
SCHEMBL5046243 0.89 AURKA (0.71) AURKAAURKBEGFRFGFR1KDR
SCHEMBL5042162 0.88 AURKA (0.83) AURKAAURKBEGFRFGFR1KDR
SCHEMBL5045809 0.87 AURKA (0.79) AURKAAURKBEGFRFGFR1KDR
SCHEMBL5045762 0.87 AURKA (0.70) AURKAAURKBEGFRFGFR1KDR
SCHEMBL3892716 0.87 AURKA (0.70) AURKAAURKBEGFRFGFR1KDR

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