SCHEMBL3455647

SCHEMBL3455647

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)c3ccc(Cl)cc3)C4)[nH]c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
GUSB P08236 1/20 0.39
PRLHR P49683 4/20 0.39
HPSE Q9Y251 1/20 0.39
BRD4 O60885 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
AMY1A P0DUB6 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
HSP90AB1 P08238 1/20 0.36
FASN P49327 2/20 0.36
CHEK2 O96017 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL3457136 0.91 MTHFD2 (0.41) HPSECDK4CCND1
SCHEMBL3455611 0.90 GRM5 (0.43) SMN1; SMN2CYP1A2GUSBBRD4HCRTR1
SCHEMBL3457113 0.88 PIK3CA (0.38) SMN1; SMN2HPSEBRD4CDK4CCND1
SCHEMBL14032076 0.86 HPSE (0.48) SMN1; SMN2CYP1A2CYP2C19HIF1AGUSB
SCHEMBL14032039 0.86 PRSS12 (0.41) SMN1; SMN2LMNA
SCHEMBL3456012 0.85 P2RX7 (0.44) PDE4BLMNA
SCHEMBL5067913 0.85 KDR (0.46) GUSBLMNA
SCHEMBL3455916 0.85 KDR (0.46) GUSBLMNA
SCHEMBL14031952 0.84 HPSE (0.41) SMN1; SMN2CYP1A2CYP2C19HPSEBRD4
SCHEMBL3457104 0.84 P2RX7 (0.51)

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-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed