SCHEMBL6530735

SCHEMBL6530735

[CH2]CNCCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4F)s3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.70
KDR P35968 5/20 0.56
AURKB Q96GD4 4/20 0.56
EGFR P00533 1/20 0.56
IGF1R P08069 1/20 0.56
FGFR1 P11362 1/20 0.56
SRC P12931 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
FGFR3 P22607 1/20 0.56
CDK2 P24941 1/20 0.56
CSK P41240 1/20 0.56
JAK3 P52333 1/20 0.56
PTK2 Q05397 1/20 0.56
HDAC3 O15379 4/20 0.52
HDAC4 P56524 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC10 Q969S8 4/20 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
SCHEMBL5048663 0.93 AURKA (0.79) AURKAKDRAURKBEGFRIGF1R
SCHEMBL6471188 0.90 AURKA (0.69) AURKAKDRAURKBEGFRIGF1R
SCHEMBL3897202 0.90 AURKA (0.66) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5046894 0.89 AURKA (0.70) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5045224 0.87 AURKA (0.68) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5049211 0.87 AURKA (0.63) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5045030 0.86 AURKA (0.70) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5046041 0.85 AURKA (0.74) AURKAKDRAURKBEGFRIGF1R
SCHEMBL3888165 0.85 AURKA (0.64) AURKAKDRAURKBEGFRIGF1R
SCHEMBL6470416 0.85 AURKA (0.78) AURKAKDRAURKBEGFRIGF1R

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