SCHEMBL4668121

SCHEMBL4668121

O=C(C=Cc1n[nH]c2ncccc12)NCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NCOR1 O75376 1/20 0.46
KCNH2 Q12809 1/20 0.46
GSK3B P49841 2/20 0.46
RPS6KB1 P23443 1/20 0.44

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
SCHEMBL4668119 1.00 NAMPT (0.50) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4669121 0.90 MMP1 (0.53) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4669118 0.90 MMP1 (0.53) NAMPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4667777 0.89 SMN1; SMN2 (0.52) NAMPTKMT2AMEN1LMNAHDAC1
SCHEMBL4667782 0.89 SMN1; SMN2 (0.52) NAMPTKMT2AMEN1LMNAHDAC1
SCHEMBL4667873 0.88 KDR (0.49) LMNAHDAC1HDAC6HDAC3HDAC4
SCHEMBL4667875 0.88 KDR (0.49) LMNAHDAC1HDAC6HDAC3HDAC4
SCHEMBL4668012 0.88 PDPK1 (0.44) NAMPTALDH1A1HDAC1HDAC6HDAC3
SCHEMBL4668009 0.88 PDPK1 (0.44) NAMPTALDH1A1HDAC1HDAC6HDAC3
SCHEMBL4668091 0.86 HDAC1 (0.41) NAMPTKMT2AMEN1ALDH1A1LMNA

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