SCHEMBL5495376

SCHEMBL5495376

C[C@@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.85
AURKB Q96GD4 11/20 0.70
KDR P35968 3/20 0.67
RIPK2 O43353 2/20 0.67
EGFR P00533 2/20 0.67
LCK P06239 2/20 0.67
LYN P07948 2/20 0.67
RET P07949 2/20 0.67
HCK P08631 2/20 0.67
PDGFRB P09619 2/20 0.67
KIT P10721 2/20 0.67
PDGFRA P16234 2/20 0.67
CSNK2A2 P19784 2/20 0.67
FLT3 P36888 2/20 0.67
MST1R Q04912 2/20 0.67
MAP2K5 Q13163 2/20 0.67
AURKC Q9UQB9 2/20 0.67
MAP4K5 Q9Y4K4 2/20 0.67
PLK4 O00444 1/20 0.67
CIT O14578 1/20 0.67

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
SCHEMBL5495879 1.00 AURKA (0.85) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3488835 0.92 AURKA (1.00) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3488439 0.92 AURKA (1.00) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5495874 0.92 AURKA (0.85) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5495369 0.92 AURKA (0.85) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3490953 0.91 AURKA (0.81) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3489918 0.91 AURKA (0.81) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3490956 0.90 AURKA (0.80) AURKAAURKBKDRRIPK2EGFR
SCHEMBL3489920 0.90 AURKA (0.80) AURKAAURKBKDRRIPK2EGFR
SCHEMBL5494015 0.89 AURKA (0.87) AURKAAURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578755-B1 PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2007-08-22 EP claimed