SCHEMBL4667583

SCHEMBL4667583

O=C(/C=C/c1n[nH]c2ncccc12)N[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.44
AURKB Q96GD4 4/20 0.44
AURKA O14965 3/20 0.44
ABCB1 P08183 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
MAPK1 P28482 3/20 0.37
CHEK1 O14757 2/20 0.37
FGFR1 P11362 2/20 0.37
PRKACA P17612 2/20 0.37
FLT4 P35916 2/20 0.37
JAK3 P52333 2/20 0.37
CDC7 O00311 1/20 0.37
JAK2 O60674 1/20 0.37
PAK4 O96013 1/20 0.37
NTRK1 P04629 1/20 0.37
PRKCB P05771 1/20 0.37
INSR P06213 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL4667594 1.00 RPS6KB1 (0.44) RPS6KB1AURKBAURKAABCB1GPR88
SCHEMBL4667866 0.93 GPR88 (0.42) RPS6KB1AURKBAURKAABCB1GPR88
SCHEMBL4667861 0.93 GPR88 (0.42) RPS6KB1AURKBAURKAABCB1GPR88
SCHEMBL15304791 0.93 GPR88 (0.42) RPS6KB1AURKBAURKAABCB1GPR88
SCHEMBL4667756 0.92 MAPK1 (0.46) AURKBAURKAGPR88ROCK2ROCK1
SCHEMBL4667763 0.92 MAPK1 (0.46) AURKBAURKAGPR88ROCK2ROCK1
SCHEMBL4669035 0.84 AKT1 (0.47) RPS6KB1AURKBAURKAROCK2ROCK1
SCHEMBL4669040 0.84 AKT1 (0.47) RPS6KB1AURKBAURKAROCK2ROCK1
SCHEMBL4349063 0.83 DYRK1A (0.44) RPS6KB1AURKBAURKAGPR88ROCK2
SCHEMBL4349068 0.83 DYRK1A (0.44) RPS6KB1AURKBAURKAGPR88ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP claimed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 EP claimed
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 EP disclosed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 EP disclosed