SCHEMBL363738

SCHEMBL363738

Cc1cc2c3ccc(Cl)cc3nc(CSc3nc(-c4ccccc4)cn3C)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE5A O76074 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE3A Q14432 1/20 0.54
PDE7B Q9NP56 1/20 0.54

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
SCHEMBL361380 0.94 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363353 0.90 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL371208 0.89 PDE10A (0.80) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363852 0.87 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363268 0.87 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363821 0.85 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363761 0.83 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL362600 0.81 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL368463 0.81 PDE10A (0.78) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363261 0.79 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A

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