SCHEMBL6470602

SCHEMBL6470602

CCN(CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)c2cc1OC)CCOP(=O)(OCCN(CC)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)c2cc1OC)OCCN(CC)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.64
AURKB Q96GD4 6/20 0.64
EGFR P00533 1/20 0.51
IGF1R P08069 1/20 0.51
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51
CDK2 P24941 1/20 0.51
KDR P35968 1/20 0.51
CSK P41240 1/20 0.51
JAK3 P52333 1/20 0.51
PTK2 Q05397 1/20 0.51

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
SCHEMBL5045615 0.96 AURKA (0.64) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5049559 0.95 AURKA (0.61) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL6469839 0.95 AURKA (0.59) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL6470103 0.92 AURKA (0.66) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5046041 0.92 AURKA (0.74) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL6471691 0.91 AURKA (0.60) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL3884756 0.91 AURKA (0.58) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5045117 0.90 AURKA (0.55) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5048605 0.88 AURKA (0.65) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL5041050 0.88 AURKA (0.62) 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