SCHEMBL4667763

SCHEMBL4667763

O=C(C=Cc1n[nH]c2ncccc12)N[C@H](CN1CCOCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.46
AURKA O14965 3/20 0.41
GPR88 Q9GZN0 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CDC7 O00311 1/20 0.39
CHEK1 O14757 1/20 0.39
JAK2 O60674 1/20 0.39
PAK4 O96013 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCB P05771 1/20 0.39
INSR P06213 1/20 0.39
RET P07949 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL4667756 1.00 MAPK1 (0.46) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4667583 0.92 RPS6KB1 (0.44) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4667594 0.92 RPS6KB1 (0.44) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL15304791 0.90 GPR88 (0.42) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4667866 0.90 GPR88 (0.42) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4667861 0.90 GPR88 (0.42) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4347658 0.84 GSK3B (0.44) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4347649 0.84 GSK3B (0.44) MAPK1AURKAGPR88ROCK2ROCK1
SCHEMBL4669035 0.82 AKT1 (0.47) MAPK1AURKAROCK2ROCK1AURKB
SCHEMBL4669040 0.82 AKT1 (0.47) MAPK1AURKAROCK2ROCK1AURKB

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 4 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-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