SCHEMBL363739

SCHEMBL363739

Cc1cc2c3ccc(Cl)cc3nc(C(C)Sc3nc(-c4ccccc4)c[nH]3)n2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.51
ADORA1 P30542 1/20 0.35
PDE5A O76074 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE7B Q9NP56 1/20 0.35
AURKA O14965 1/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL361381 0.94 PDE10A (0.51) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363354 0.91 PDE10A (0.47) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL371209 0.89 PDE10A (0.51) PDE10AADORA1PDE5APDE1BPDE4D
SCHEMBL363853 0.88 PDE10A (0.53) PDE10AAURKA
SCHEMBL363269 0.86 PDE10A (0.50) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363762 0.84 PDE10A (0.51) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL362601 0.81 PDE10A (0.50) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL364695 0.79 PDE10A (0.53) PDE10AAURKA
SCHEMBL363300 0.70 PDE10A (0.68) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL260312 0.69 PDE10A (0.45) PDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed