SCHEMBL4669121

SCHEMBL4669121

O=C(C=Cc1n[nH]c2ncccc12)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.53
MMP2 P08253 4/20 0.53
MMP9 P14780 4/20 0.53
POLB P06746 2/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
GSK3B P49841 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 2/20 0.47
NSD2 O96028 1/20 0.46
ADORA2A P29274 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 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
SCHEMBL4669118 1.00 MMP1 (0.53) MMP1MMP2MMP9POLBALDH1A1
SCHEMBL4668119 0.90 NAMPT (0.50) ALDH1A1LMNAGSK3BNAMPTKDM4E
SCHEMBL4668121 0.90 NAMPT (0.50) ALDH1A1LMNAGSK3BNAMPTKDM4E
SCHEMBL4667777 0.90 SMN1; SMN2 (0.52) MMP1MMP2MMP9POLBLMNA
SCHEMBL4667782 0.90 SMN1; SMN2 (0.52) MMP1MMP2MMP9POLBLMNA
SCHEMBL4667886 0.87 THRB (0.56) POLBALDH1A1LMNAGSK3BSMN1; SMN2
SCHEMBL4667873 0.87 KDR (0.49) LMNAGSK3B
SCHEMBL4666548 0.87 NPSR1 (0.51) POLBALDH1A1LMNAGSK3BSMN1; SMN2
SCHEMBL4666551 0.87 NPSR1 (0.51) POLBALDH1A1LMNAGSK3BSMN1; SMN2
SCHEMBL4667875 0.87 KDR (0.49) LMNAGSK3B

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