SCHEMBL4700332

SCHEMBL4700332

CS(=O)(=O)c1cccc(-n2cc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(-c5ccc(N)nc5)cc4)nc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.42
AOC3 Q16853 2/20 0.41
MAPT P10636 1/20 0.38
PIK3CD O00329 1/20 0.37
PTGS2 P35354 5/20 0.36
RIPK2 O43353 1/20 0.35
TP53 P04637 1/20 0.35
BRD4 O60885 3/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
CREBBP Q92793 1/20 0.35
PIK3CG P48736 2/20 0.34
PI4KA P42356 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL4704598 0.93 GRM1 (0.42) GRM1AOC3MAPTPTGS2RIPK2
SCHEMBL4699767 0.91 GRM1 (0.41) GRM1AOC3MAPTPIK3CDPTGS2
SCHEMBL4701116 0.88 GRM1 (0.40) GRM1MAPTPTGS2TP53PTGS1
SCHEMBL4701861 0.88 GRM1 (0.42) GRM1AOC3MAPTPTGS2RIPK2
SCHEMBL4701666 0.87 GRM1 (0.41) GRM1AOC3MAPTPIK3CDPTGS2
SCHEMBL4704989 0.87 GRM1 (0.40) GRM1AOC3MAPTPTGS2RIPK2
SCHEMBL1689071 0.86 AOC3 (0.45) GRM1AOC3MAPTTP53
SCHEMBL4703457 0.85 GRM1 (0.40) GRM1AOC3MAPTPTGS2RIPK2
SCHEMBL4167589 0.83 GRM1 (0.61) GRM1MAPTTP53
SCHEMBL4165708 0.80 GRM1 (0.42) GRM1AOC3MAPTPIK3CDPTGS2

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