SCHEMBL6471691

SCHEMBL6471691

CCN(CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cc(F)ccc4F)s3)c2cc1OC)CCOP(=O)(OCCN(CC)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cc(F)ccc4F)s3)c2cc1OC)OCCN(CC)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cc(F)ccc4F)s3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.60
AURKB Q96GD4 5/20 0.53
EGFR P00533 5/20 0.52
KDR P35968 5/20 0.52
IGF1R P08069 1/20 0.52
FGFR1 P11362 1/20 0.52
SRC P12931 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR4 P22455 1/20 0.52
FGFR3 P22607 1/20 0.52
CDK2 P24941 1/20 0.52
CSK P41240 1/20 0.52
JAK3 P52333 1/20 0.52
PTK2 Q05397 1/20 0.52
ERBB2 P04626 1/20 0.47

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
SCHEMBL3888253 0.96 AURKA (0.59) AURKAAURKBEGFRKDRIGF1R
SCHEMBL5049886 0.95 AURKA (0.56) AURKAAURKBEGFRKDRIGF1R
SCHEMBL6469839 0.93 AURKA (0.59) AURKAAURKBEGFRKDRIGF1R
SCHEMBL5041051 0.92 AURKA (0.62) AURKAAURKBEGFRKDRIGF1R
SCHEMBL6470602 0.91 AURKA (0.64) AURKAAURKBEGFRKDRIGF1R
SCHEMBL3884756 0.89 AURKA (0.58) AURKAAURKBEGFRKDRIGF1R
SCHEMBL5045117 0.88 AURKA (0.55) AURKAAURKBEGFRKDRIGF1R
SCHEMBL5045615 0.86 AURKA (0.64) AURKAAURKBEGFRKDRIGF1R
SCHEMBL5049559 0.86 AURKA (0.61) AURKAAURKBEGFRKDRIGF1R
SCHEMBL5045138 0.85 AURKA (0.75) AURKAAURKBEGFRKDRIGF1R

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