SCHEMBL6470103

SCHEMBL6470103

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)ncnc2cc1OCCCN(C)CCOP(=O)(OCCN(C)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)c2cc1OC)OCCN(C)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.66
AURKB Q96GD4 4/20 0.55
KDR P35968 3/20 0.52
EGFR P00533 1/20 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 0.50
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48

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
SCHEMBL5048605 0.95 AURKA (0.65) AURKAAURKBKDREGFRIGF1R
SCHEMBL5041050 0.95 AURKA (0.62) AURKAAURKBKDREGFRIGF1R
SCHEMBL6470602 0.92 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045030 0.92 AURKA (0.70) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045615 0.88 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL5049559 0.88 AURKA (0.61) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045549 0.88 AURKA (0.67) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045211 0.88 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL6471442 0.87 AURKA (0.73) AURKAAURKBKDREGFRIGF1R
SCHEMBL6469839 0.87 AURKA (0.59) AURKAAURKBKDREGFRIGF1R

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