SCHEMBL7947571

SCHEMBL7947571

CCn1c(=O)c(-c2cccc(C)c2)nc2c(N)ccnc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
MAPK14 Q16539 6/20 0.41
LYN P07948 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CFTR P13569 1/20 0.38
SRC P12931 3/20 0.38
PIK3CD O00329 2/20 0.38
ABL1 P00519 1/20 0.38
MTOR P42345 1/20 0.37
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL7947917 0.91 PDE4B (0.51) PDE4BMAPK14ADORA3ADORA2AADORA2B
SCHEMBL7946067 0.89 PDE4B (0.57) PDE4BMAPK14ADORA2AADORA2BADORA1
SCHEMBL7944713 0.88 CYP1A2 (0.47) PDE4BCFTR
SCHEMBL7938164 0.87 PDE4B (0.42) PDE4BMAPK14SRCPIK3CDABL1
SCHEMBL7945984 0.86 CYP1A2 (0.51) PDE4B
SCHEMBL7944647 0.82 MTOR (0.53) PDE4BMAPK14ADORA3SRCPIK3CD
SCHEMBL7938416 0.79 CYP1A2 (0.50) PDE4BCFTRTLR8
SCHEMBL7946753 0.77 ALDH1A1 (0.52)
SCHEMBL7945959 0.75 PDE4B (0.51) PDE4B
SCHEMBL3226765 0.72 CYP1A2 (0.46) PDE4B

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
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed