SCHEMBL3456012

SCHEMBL3456012

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)c3ccccc3Cl)C4)[nH]c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL3457104 0.93 P2RX7 (0.51) P2RX7
SCHEMBL14031932 0.90 P2RX7 (0.41) P2RX7LMNAHPGDPDE10A
SCHEMBL3457136 0.87 MTHFD2 (0.41)
SCHEMBL14031928 0.85 HPSE (0.39) P2RX7LMNAHTT
SCHEMBL14032078 0.85 KMT2A (0.40) P2RX7ALDH1A1LMNAHPGDHTT
SCHEMBL14031826 0.85 TSHR (0.41) P2RX7ALDH1A1LMNAHPGDHTT
SCHEMBL3455647 0.85 SMN1; SMN2 (0.43) LMNAPDE4B
SCHEMBL14032050 0.85 POLB (0.44) LMNAHTT
SCHEMBL3455611 0.85 GRM5 (0.43) P2RX7ALDH1A1HTTPDE4B
SCHEMBL14032039 0.85 PRSS12 (0.41) LMNA

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