SCHEMBL3455651

SCHEMBL3455651

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.39
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
AMY1A P0DUB6 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14031952 0.89 HPSE (0.41) HPSENPC1RAB9AMAPTATM
SCHEMBL3457585 0.86 HPSE (0.39) HPSENPC1RAB9AMAPTATM
SCHEMBL3456645 0.85 EP300 (0.39) HPSENPC1RAB9AMAPTATM
SCHEMBL3455817 0.84 NPC1 (0.38) HPSENPC1RAB9AMAPTATM
SCHEMBL3457136 0.83 MTHFD2 (0.41) HPSENPC1RAB9AATMERAP1
SCHEMBL3457565 0.83 KDM4E (0.38) HPSENPC1RAB9AMAPTATM
SCHEMBL3455946 0.83 NPC1 (0.38) HPSENPC1RAB9AMAPTATM
SCHEMBL3456150 0.82 NPC1 (0.37) HPSENPC1RAB9AMAPTATM
SCHEMBL3455320 0.82 TRPV1 (0.38) HPSENPC1RAB9AMAPTATM
SCHEMBL3455647 0.82 SMN1; SMN2 (0.43) HPSESMN1; SMN2AMY1ABRD4CYP1A2

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 3 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
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