SCHEMBL5483519

SCHEMBL5483519

[CH2]CN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.78
AURKB Q96GD4 11/20 0.78
KDR P35968 4/20 0.78
EGFR P00533 3/20 0.78
RIPK2 O43353 2/20 0.78
LCK P06239 2/20 0.78
LYN P07948 2/20 0.78
RET P07949 2/20 0.78
HCK P08631 2/20 0.78
PDGFRB P09619 2/20 0.78
KIT P10721 2/20 0.78
PDGFRA P16234 2/20 0.78
CSNK2A2 P19784 2/20 0.78
FLT3 P36888 2/20 0.78
MST1R Q04912 2/20 0.78
MAP2K5 Q13163 2/20 0.78
AURKC Q9UQB9 2/20 0.78
MAP4K5 Q9Y4K4 2/20 0.78
PLK4 O00444 1/20 0.78
CIT O14578 1/20 0.78

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
SCHEMBL3489646 0.93 AURKA (0.90) AURKAAURKBKDREGFRRIPK2
SCHEMBL10475962 0.93 AURKA (0.87) AURKAAURKBKDREGFRRIPK2
SCHEMBL3489712 0.92 AURKA (0.90) AURKAAURKBKDREGFRRIPK2
SCHEMBL5486785 0.89 AURKA (0.75) AURKAAURKBKDREGFRRIPK2
SCHEMBL3489643 0.89 AURKA (0.77) AURKAAURKBKDREGFRRIPK2
SCHEMBL4275319 0.89 AURKA (0.94) AURKAAURKBKDREGFRRIPK2
SCHEMBL5484997 0.88 AURKA (0.73) AURKAAURKBKDREGFRRIPK2
SCHEMBL5493069 0.88 AURKA (0.72) AURKAAURKBKDREGFRRIPK2
SCHEMBL3489570 0.88 AURKA (0.85) AURKAAURKBKDREGFRRIPK2
SCHEMBL613581 0.88 AURKA (0.91) AURKAAURKBKDREGFRRIPK2

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-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 EP disclosed
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP disclosed