SCHEMBL4669035

SCHEMBL4669035

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.47
RPS6KB1 P23443 3/20 0.41
MAPK1 P28482 4/20 0.40
RPS6KA5 O75582 2/20 0.40
GSK3B P49841 2/20 0.40
NEK4 P51957 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKG2 Q13237 2/20 0.40
ROCK1 Q13464 2/20 0.40
PRKG1 Q13976 2/20 0.40
PKN2 Q16513 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
AKT2 P31751 2/20 0.40
AKT3 Q9Y243 2/20 0.40
MAPK13 O15264 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL4669040 1.00 AKT1 (0.47) AKT1RPS6KB1MAPK1RPS6KA5GSK3B
SCHEMBL4667583 0.84 RPS6KB1 (0.44) AKT1RPS6KB1MAPK1RPS6KA5GSK3B
SCHEMBL4667594 0.84 RPS6KB1 (0.44) AKT1RPS6KB1MAPK1RPS6KA5GSK3B
SCHEMBL4668041 0.83 GSK3B (0.43) AKT1RPS6KB1MAPK1GSK3BROCK1
SCHEMBL4668044 0.83 GSK3B (0.43) AKT1RPS6KB1MAPK1GSK3BROCK1
SCHEMBL4667866 0.83 GPR88 (0.42) RPS6KB1MAPK1ROCK1ROCK2AURKA
SCHEMBL4667861 0.83 GPR88 (0.42) RPS6KB1MAPK1ROCK1ROCK2AURKA
SCHEMBL15304791 0.83 GPR88 (0.42) RPS6KB1MAPK1ROCK1ROCK2AURKA
SCHEMBL4667756 0.82 MAPK1 (0.46) MAPK1ROCK1ROCK2AURKAAURKB
SCHEMBL4667763 0.82 MAPK1 (0.46) MAPK1ROCK1ROCK2AURKAAURKB

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