SCHEMBL3904472

SCHEMBL3904472

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(Cl)nc43)C(O)C2O)n1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.74
ADORA2A P29274 16/20 0.74
ADORA2B P29275 16/20 0.74
ADORA1 P30542 15/20 0.74

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
SCHEMBL11968432 1.00 ADORA3 (0.74) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2811320 1.00 ADORA3 (0.74) ADORA3ADORA2AADORA2BADORA1
SCHEMBL2806262 0.94 ADORA1 (0.71) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5221354 0.88 ADORA3 (0.81) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4232897 0.88 ADORA3 (0.81) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5088922 0.86 ADORA2A (0.81) ADORA3ADORA2AADORA2BADORA1
Gw-328267 SCHEMBL1980933 0.85 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1
Gw-328267 SCHEMBL1983126 0.85 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1
Gw-328267 SCHEMBL13268529 0.85 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1
Gw-328267 SCHEMBL1979140 0.85 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1

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-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed