SCHEMBL28042559

SCHEMBL28042559

C#CCc1c(N)nc(-n2cncn2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.58
PDE4A P27815 10/20 0.40
PDE4B Q07343 1/20 0.35
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 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
SCHEMBL2550404 0.75 ADORA2A (0.53) PDE10AMAPTMAPK1LMNAADORA2A
SCHEMBL28042346 0.74 PDE10A (0.59) PDE10APDE4APDE4BKDM4ETSHR
Pbf-999 SCHEMBL15905362 0.74 PDE10A (1.00) PDE10APDE4APDE4BADORA2A
SCHEMBL28042501 0.73 PDE10A (0.46) PDE10APDE4APDE4BKDM4ETSHR
SCHEMBL28042544 0.71 PDE10A (0.45) PDE10AADORA2AADORA1
SCHEMBL28042324 0.69 PDE10A (0.59) PDE10AMAPT
SCHEMBL15905205 0.68 PDE10A (0.53) PDE10AKDM4ETSHRMAPK1HSD17B10
SCHEMBL27992045 0.68 ADORA2A (0.58) PDE10AMAPTMAPK1LMNAADORA2A
SCHEMBL4988262 0.67 PDE10A (0.41) PDE10APDE4APDE4B
SCHEMBL21640528 0.65 PDE10A (0.38) PDE10APDE4APDE4BKDM4ETSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008346-B Pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors 帕罗生物制药有限公司 2018-11-13 CN claimed
CN-105008346-A Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors PALOBIOFARMA SL 2015-10-28 CN claimed
CN-105008346-B Pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors 帕罗生物制药有限公司 2018-11-13 CN disclosed
CN-105008346-A Novel pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors PALOBIOFARMA SL 2015-10-28 CN disclosed