SCHEMBL5148305

SCHEMBL5148305

CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[As](C)C)cc4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 20/20 0.83
AURKA O14965 19/20 0.83
INCENP Q9NQS7 2/20 0.73
PLK4 O00444 1/20 0.73
CIT O14578 1/20 0.73
EPHB6 O15197 1/20 0.73
RIPK2 O43353 1/20 0.73
ROCK2 O75116 1/20 0.73
PRKD3 O94806 1/20 0.73
MAP4K4 O95819 1/20 0.73
NTRK1 P04629 1/20 0.73
RET P07949 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
FGFR1 P11362 1/20 0.73
CYP2C9 P11712 1/20 0.73
FLT1 P17948 1/20 0.73
FECH P22830 1/20 0.73
DCK P27707 1/20 0.73
CYP2C19 P33261 1/20 0.73

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
SCHEMBL4310001 0.91 AURKB (1.00) AURKBAURKAINCENPPLK4CIT
SCHEMBL4307308 0.89 AURKB (0.82) AURKBAURKAINCENPPLK4CIT
SCHEMBL4317341 0.87 AURKB (1.00) AURKBAURKAINCENPPLK4CIT
SCHEMBL4309995 0.87 AURKB (0.79) AURKBAURKAINCENPPLK4CIT
SCHEMBL4316543 0.86 AURKB (0.86) AURKBAURKAINCENPPLK4CIT
SCHEMBL4306937 0.86 AURKB (0.82) AURKBAURKAINCENPPLK4CIT
SCHEMBL4316846 0.85 AURKB (0.87) AURKBAURKAINCENPPLK4CIT
SCHEMBL4306872 0.85 AURKB (1.00) AURKBAURKAINCENPPLK4CIT
Gsk-1070916 SCHEMBL29551759 0.85 AURKB (1.00) AURKBAURKAINCENPPLK4CIT
Gsk-1070916 SCHEMBL4305006 0.85 AURKB (1.00) AURKBAURKAINCENPPLK4CIT

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-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 EP claimed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed