SCHEMBL28042545

SCHEMBL28042545

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.68
CYP2D6 P10635 1/20 0.36
JAK2 O60674 1/20 0.36
DHFR P00374 1/20 0.34
GSK3B P49841 1/20 0.34
MKNK1 Q9BUB5 5/20 0.33
MAPT P10636 1/20 0.33
DYRK1B Q9Y463 1/20 0.32
ADORA2A P29274 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL28042324 0.85 PDE10A (0.59) PDE10AJAK2DHFRMKNK1MAPT
SCHEMBL15905044 0.81 PDE10A (1.00) PDE10AADORA2A
SCHEMBL28042347 0.77 EGLN1 (0.45) PDE10ADHFRMAPTADORA2A
SCHEMBL15904142 0.72 PDE10A (0.81) PDE10AMKNK1ADORA2AMKNK2
SCHEMBL28042503 0.71 PDE10A (0.68) PDE10ACYP2D6JAK2MKNK1DYRK1B
SCHEMBL15904927 0.71 PDE10A (0.78) PDE10AMKNK1ADORA2A
SCHEMBL28245414 0.70 PDE10A (0.46) PDE10ACYP2D6MKNK1MAPTDYRK1B
SCHEMBL12203764 0.70 PDE10A (0.46) PDE10ACYP2D6MKNK1MAPTDYRK1B
SCHEMBL15904251 0.69 PDE10A (0.74) PDE10AMKNK1ADORA2A
SCHEMBL5218758 0.69 PDE10A (0.46) PDE10ACYP2D6JAK2GSK3BMKNK1

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