SCHEMBL4668091

SCHEMBL4668091

O=C(/C=C/c1n[nH]c2ncccc12)NCc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NAMPT P43490 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
NCOR1 O75376 1/20 0.41
KCNH2 Q12809 1/20 0.41
GSK3B P49841 3/20 0.38
CARM1 Q86X55 2/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL4668094 1.00 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4666586 0.92 P2RX7 (0.43) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4666591 0.92 P2RX7 (0.43) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4666544 0.89 LMNA (0.46) GSK3BLMNAKDRMEN1KMT2A
SCHEMBL4666545 0.89 LMNA (0.46) GSK3BLMNAKDRMEN1KMT2A
SCHEMBL4668121 0.86 NAMPT (0.50) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4668119 0.86 NAMPT (0.50) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4668009 0.85 PDPK1 (0.44) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4667873 0.85 KDR (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4668012 0.85 PDPK1 (0.44) HDAC1HDAC3HDAC2HDAC4HDAC7

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