SCHEMBL28042324

SCHEMBL28042324

C#CCc1c(N)nc(-n2cc(-c3ccncn3)cn2)nc1N

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.59
JAK2 O60674 1/20 0.34
DHFR P00374 1/20 0.33
MAPT P10636 1/20 0.31
MKNK1 Q9BUB5 2/20 0.31

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
SCHEMBL28042545 0.85 PDE10A (0.68) PDE10AJAK2DHFRMAPTMKNK1
SCHEMBL28042544 0.84 PDE10A (0.45) PDE10A
SCHEMBL15905044 0.74 PDE10A (1.00) PDE10A
SCHEMBL15904927 0.72 PDE10A (0.78) PDE10AMKNK1
SCHEMBL28042559 0.69 PDE10A (0.58) PDE10AMAPT
SCHEMBL28245414 0.68 PDE10A (0.46) PDE10AMAPTMKNK1
SCHEMBL15904970 0.67 PDE10A (1.00) PDE10A
SCHEMBL15905011 0.67 PDE10A (0.74) PDE10A
SCHEMBL2550404 0.67 ADORA2A (0.53) PDE10AMAPT
SCHEMBL15904142 0.65 PDE10A (0.81) PDE10AMKNK1

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