SCHEMBL4667795

SCHEMBL4667795

NC[C@H](Cc1ccc2ccccc2c1)NC(=O)C=Cc1n[nH]c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 10/20 0.37
PTPN1 P18031 10/20 0.37
CDC25B P30305 10/20 0.37
PTPN6 P29350 7/20 0.36
KDR P35968 3/20 0.36
FLT1 P17948 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MC5R P33032 2/20 0.35
MC1R Q01726 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
SCHEMBL4667789 1.00 PTPN2 (0.37) PTPN2PTPN1CDC25BPTPN6KDR
SCHEMBL4668041 0.89 GSK3B (0.43) GSK3B
SCHEMBL4668044 0.89 GSK3B (0.43) GSK3B
SCHEMBL4669110 0.86 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC8HDAC6
SCHEMBL4669105 0.86 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4349172 0.83 GSK3B (0.43) PTPN2PTPN1CDC25BPTPN6KDR
Hydrochloric Acid SCHEMBL4350743 0.83 GSK3B (0.43) PTPN2PTPN1CDC25BPTPN6KDR
SCHEMBL4665968 0.81 GSK3B (0.42) GSK3B
SCHEMBL4665975 0.81 GSK3B (0.42) GSK3B
SCHEMBL4666598 0.80 ITGB2 (0.45) HDAC3HDAC4HDAC1HDAC8HDAC6

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