SCHEMBL4668044

SCHEMBL4668044

NC[C@H](Cc1ccccc1)NC(=O)C=Cc1n[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
AURKA O14965 3/20 0.40
RPS6KB1 P23443 3/20 0.40
AKT1 P31749 3/20 0.40
AKT2 P31751 3/20 0.40
AKT3 Q9Y243 3/20 0.40
AURKB Q96GD4 1/20 0.36
ECE1 P42892 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CAPN1 P07384 1/20 0.35
CTSB P07858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOS2 P35228 1/20 0.35
POLB P06746 1/20 0.35
ROCK2 O75116 2/20 0.35

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
SCHEMBL4668041 1.00 GSK3B (0.43) GSK3BAURKARPS6KB1AKT1AKT2
SCHEMBL4665975 0.92 GSK3B (0.42) GSK3BAURKARPS6KB1AURKBECE1
SCHEMBL4665968 0.92 GSK3B (0.42) GSK3BAURKARPS6KB1AURKBECE1
SCHEMBL4667789 0.89 PTPN2 (0.37) GSK3B
SCHEMBL4667795 0.89 PTPN2 (0.37) GSK3B
SCHEMBL4669105 0.87 HDAC1 (0.37) AURKAAKT1AKT2AKT3AURKB
SCHEMBL4669110 0.87 HDAC1 (0.37) AURKAAKT1AKT2AKT3AURKB
SCHEMBL15304874 0.86 CAPN1 (0.49) GSK3BCAPN1CTSBNOS2CNR1
SCHEMBL4666598 0.85 ITGB2 (0.45)
SCHEMBL4666588 0.85 ITGB2 (0.45)

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