SCHEMBL28042503

SCHEMBL28042503

CCNc1nc(-n2cc(-c3ccncn3)cn2)ncc1Cl

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.68
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 4/20 0.41
ADORA2A P29274 2/20 0.41
MKNK1 Q9BUB5 6/20 0.39
JAK2 O60674 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CYP2D6 P10635 1/20 0.33
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL15904142 0.85 PDE10A (0.81) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15905044 0.81 PDE10A (1.00) PDE10AADORA3ADORA1ADORA2A
SCHEMBL15904927 0.79 PDE10A (0.78) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15904251 0.77 PDE10A (0.74) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15905378 0.74 PDE10A (0.68) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15904999 0.72 PDE10A (1.00) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL28042545 0.71 PDE10A (0.68) PDE10AADORA2AMKNK1JAK2MKNK2
SCHEMBL15905349 0.71 PDE10A (0.66) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL15904941 0.70 PDE10A (0.62) PDE10AADORA3ADORA1ADORA2AMKNK1
SCHEMBL5218142 0.70 PDE10A (0.42) PDE10AMKNK1JAK2MKNK2

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
CN-105008346-A Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors PALOBIOFARMA SL 2015-10-28 CN disclosed