SCHEMBL18685442

SCHEMBL18685442

Cn1ncc(C=O)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.70
CYP1A2 P05177 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL18685466 0.91 PDE10A (0.77) PDE10ANAMPT
SCHEMBL14812419 0.87 PDE10A (0.84) PDE10A
SCHEMBL14812398 0.83 PDE10A (1.00) PDE10A
SCHEMBL14811995 0.83 PDE10A (1.00) PDE10A
SCHEMBL14811495 0.83 PDE10A (0.71) PDE10A
SCHEMBL14821977 0.81 PDE10A (1.00) PDE10A
SCHEMBL14812249 0.81 PDE10A (1.00) PDE10A
SCHEMBL18685445 0.79 PDE10A (0.71) PDE10A
SCHEMBL18685476 0.79 PDE10A (0.68) PDE10A
SCHEMBL14811781 0.78 PDE10A (1.00) 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
EP-2758396-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-29 EP disclosed