SCHEMBL4669110

SCHEMBL4669110

NC[C@H](Cc1cccc2ccccc12)NC(=O)C=Cc1n[nH]c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
AKT1 P31749 3/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
FGFR3 P22607 1/20 0.35
GSK3A P49840 1/20 0.35
RPS6KA3 P51812 1/20 0.35
LIMK1 P53667 1/20 0.35
PRKCD Q05655 1/20 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
SCHEMBL4669105 1.00 HDAC1 (0.37) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL4668044 0.87 GSK3B (0.43) AKT1ROCK2ROCK1ALDH1A1AURKA
SCHEMBL4668041 0.87 GSK3B (0.43) AKT1ROCK2ROCK1ALDH1A1AURKA
SCHEMBL4666598 0.86 ITGB2 (0.45) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL4666588 0.86 ITGB2 (0.45) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL4667789 0.86 PTPN2 (0.37) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL4667795 0.86 PTPN2 (0.37) HDAC1HDAC3HDAC6HDAC4HDAC7
Hydrochloric Acid SCHEMBL4343259 0.83 KMT2A (0.40) HDAC1HDAC3HDAC6HDAC4HDAC7
Hydrochloric Acid SCHEMBL4343253 0.83 KMT2A (0.40) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL4668015 0.82 TAS1R3 (0.37) ALDH1A1AURKAAURKB

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