SCHEMBL14538461

SCHEMBL14538461

CC(C)(C)OC(=O)N1CCCC1COc1cccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.48
▸ AURKB Q96GD4 4/20 0.44
▸ AURKA O14965 2/20 0.44
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ TTK P33981 1/20 0.41
▸ LCK P06239 3/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL8247778 0.89 AURKA (0.45) AURKBAURKATTKBRD4SIRT2
SCHEMBL14530730 0.73 PTK6 (0.54) PTK6AURKBAURKAMAPKAPK5TTK
SCHEMBL9244811 0.73 ALDH1A1 (0.49) SIRT2
SCHEMBL10169406 0.72 MAPKAPK5 (0.57) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL8247133 0.71 ALOX5AP (0.51) GPR119
SCHEMBL8240624 0.71 ALOX5AP (0.51) GPR119
SCHEMBL8246047 0.70 FYN (0.52) PTK6AURKBAURKAMAPKAPK5TTK
SCHEMBL30138985 0.70 MAPKAPK5 (0.62) PTK6AURKBAURKAMAPKAPK5TTK
SCHEMBL5575570 0.70 MAPKAPK5 (0.58) PTK6AURKBAURKAMAPKAPK5TTK
SCHEMBL9900728 0.69 ALOX5AP (0.51) —

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
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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