SCHEMBL4717864

SCHEMBL4717864

Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N(CCOc4ccc(Cl)nc4)Cc4ccccc4)cc3)cc2n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.55
ADORA2A P29274 11/20 0.55
ADORA1 P30542 9/20 0.50
ADORA3 P0DMS8 7/20 0.50

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
SCHEMBL4051561 0.85 ADORA2B (0.67) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4236079 0.83 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4232452 0.77 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4230739 0.73 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6508766 0.71 ADORA2B (1.00) ADORA2BADORA2AADORA1
SCHEMBL4063346 0.70 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4049709 0.69 ADORA2B (0.69) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4054717 0.69 ADORA2B (1.00) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4055276 0.69 ADORA2B (0.71) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4057916 0.68 ADORA2B (0.73) ADORA2BADORA2AADORA1ADORA3

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
EP-1492793-B1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES ALMIRALL LAB (ES) 2008-01-16 EP disclosed