SCHEMBL4667873

SCHEMBL4667873

O=C(/C=C/c1n[nH]c2ncccc12)NCc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
RPS6KB1 P23443 2/20 0.47
MAPK1 P28482 4/20 0.45
CDC7 O00311 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
HDAC4 P56524 2/20 0.42
MEF2D Q14814 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL4667875 1.00 KDR (0.49) KDRRPS6KB1MAPK1CDC7CCNE1
SCHEMBL4668119 0.88 NAMPT (0.50) RPS6KB1CDC7CCNE1CDK2DBF4
SCHEMBL4668121 0.88 NAMPT (0.50) RPS6KB1CDC7CCNE1CDK2DBF4
SCHEMBL4666551 0.87 NPSR1 (0.51) RPS6KB1MAPK1GSK3BLMNA
SCHEMBL4668012 0.87 PDPK1 (0.44) RPS6KB1AURKAHDAC4MEF2DHDAC3
SCHEMBL4666548 0.87 NPSR1 (0.51) RPS6KB1MAPK1GSK3BLMNA
SCHEMBL4668009 0.87 PDPK1 (0.44) RPS6KB1AURKAHDAC4MEF2DHDAC3
SCHEMBL4669121 0.87 MMP1 (0.53) GSK3BLMNA
SCHEMBL4669118 0.87 MMP1 (0.53) GSK3BLMNA
SCHEMBL4668091 0.85 HDAC1 (0.41) KDRHDAC4HDAC3NCOR1KCNH2

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