SCHEMBL4704598

SCHEMBL4704598

CS(=O)(=O)c1cccc(-n2cc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(-c5cnc(N)nc5)cc4)nc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.42
MAPT P10636 1/20 0.39
AOC3 Q16853 2/20 0.38
RIPK2 O43353 2/20 0.37
PTGS2 P35354 6/20 0.37
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
TP53 P04637 1/20 0.35
PI4KA P42356 2/20 0.35
PIK3CG P48736 2/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL4700332 0.93 GRM1 (0.42) GRM1MAPTAOC3RIPK2PTGS2
SCHEMBL4701861 0.90 GRM1 (0.42) GRM1MAPTAOC3RIPK2PTGS2
SCHEMBL4699767 0.89 GRM1 (0.41) GRM1MAPTAOC3RIPK2PTGS2
SCHEMBL4701666 0.88 GRM1 (0.41) GRM1MAPTAOC3RIPK2PTGS2
SCHEMBL4704989 0.87 GRM1 (0.40) GRM1MAPTAOC3RIPK2PTGS2
SCHEMBL4703457 0.86 GRM1 (0.40) GRM1MAPTAOC3RIPK2PTGS2
SCHEMBL4701116 0.85 GRM1 (0.40) GRM1MAPTPTGS2TP53PTGS1
SCHEMBL4165588 0.83 GRM1 (0.62) GRM1MAPTTP53
SCHEMBL1689071 0.78 AOC3 (0.45) GRM1MAPTAOC3TP53
SCHEMBL1689243 0.76 MAPT (0.51) GRM1MAPTPTGS2TP53

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
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP claimed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO claimed