SCHEMBL4667782

SCHEMBL4667782

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 2/20 0.45
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.44
HDAC6 Q9UBN7 2/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 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
SCHEMBL4667777 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1LMNANPSR1
SCHEMBL4669121 0.90 MMP1 (0.53) SMN1; SMN2KMT2AMEN1LMNAHTT
SCHEMBL4669118 0.90 MMP1 (0.53) SMN1; SMN2KMT2AMEN1LMNAHTT
SCHEMBL4668119 0.89 NAMPT (0.50) KMT2AMEN1LMNAHDAC6HDAC3
SCHEMBL4668121 0.89 NAMPT (0.50) KMT2AMEN1LMNAHDAC6HDAC3
SCHEMBL4665994 0.88 LMNA (0.48) KMT2AMEN1LMNANPSR1HTT
SCHEMBL4666002 0.88 LMNA (0.48) KMT2AMEN1LMNANPSR1HTT
SCHEMBL4666548 0.88 NPSR1 (0.51) SMN1; SMN2LMNANPSR1HTTGAA
SCHEMBL4666551 0.88 NPSR1 (0.51) SMN1; SMN2LMNANPSR1HTTGAA
SCHEMBL4668009 0.86 PDPK1 (0.44) NPSR1HDAC6HDAC3HDAC4HDAC1

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