SCHEMBL3456715

SCHEMBL3456715

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
METAP1 P53582 2/20 0.38
METAP2 P50579 1/20 0.38
CBFB Q13951 1/20 0.38
AMY1A P0DUB6 5/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
FABP6 P51161 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL3455936 0.85 ALDH1A1 (0.38) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3455100 0.85 BRD4 (0.38) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3460034 0.83 ALDH1A1 (0.37) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3455109 0.83 NPC1 (0.40) ATMNPC1RAB9AERAP1METAP1
SCHEMBL14031952 0.83 HPSE (0.41) ATMNPC1RAB9AERAP1AMY1A
SCHEMBL3462996 0.83 ALDH1A1 (0.36) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3461019 0.82 GRIA1 (0.39) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3455326 0.82 ALDH1A1 (0.35) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3461277 0.82 BRD4 (0.41) ATMNPC1RAB9AERAP1METAP1
SCHEMBL3455559 0.81 TSHR (0.35) ATMNPC1RAB9AERAP1METAP1

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