SCHEMBL4699767

SCHEMBL4699767

CS(=O)(=O)c1cccc(-n2cc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(-c5cnc(N)cn5)cc4)nc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.41
PTGS2 P35354 8/20 0.39
MAPT P10636 1/20 0.38
PTGS1 P23219 2/20 0.36
AOC3 Q16853 1/20 0.35
RIPK2 O43353 2/20 0.35
ATR Q13535 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
TP53 P04637 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
SCHEMBL4701666 0.91 GRM1 (0.41) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4700332 0.91 GRM1 (0.42) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4703457 0.90 GRM1 (0.40) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4701116 0.89 GRM1 (0.40) GRM1PTGS2MAPTPTGS1TP53
SCHEMBL4704598 0.89 GRM1 (0.42) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4704989 0.86 GRM1 (0.40) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4701861 0.85 GRM1 (0.42) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4163385 0.83 GRM1 (0.60) GRM1MAPTTP53
SCHEMBL5611833 0.77 MAPT (0.41) GRM1PTGS2MAPTTP53
SCHEMBL1689071 0.77 AOC3 (0.45) GRM1MAPTAOC3PIK3CATP53

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