SCHEMBL4712380

SCHEMBL4712380

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(S(=O)(=O)NCc4cccnc4)cc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.57
ADORA1 P30542 11/20 0.57
ADORA3 P0DMS8 10/20 0.57
ADORA2A P29274 8/20 0.49

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
SCHEMBL4052045 0.93 ADORA2B (0.66) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4054039 0.92 ADORA2B (0.64) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4050484 0.90 ADORA2B (0.63) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4053029 0.90 ADORA2B (0.58) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4055594 0.87 ADORA2B (0.64) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4053939 0.85 ADORA2B (0.56) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4051673 0.85 ADORA2B (0.73) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4051040 0.84 ADORA2B (0.63) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4055021 0.84 ADORA2B (0.73) ADORA2BADORA1ADORA3ADORA2A
SCHEMBL4716534 0.84 ADORA2B (0.51) ADORA2BADORA1ADORA3ADORA2A

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