SCHEMBL6661143

SCHEMBL6661143

Cc1nc(NC2CCOCC2)c2ncn([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.75
ADORA2A P29274 8/20 0.75
ADORA1 P30542 8/20 0.75
ADORA2B P29275 6/20 0.60
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
SLC28A1 O00337 1/20 0.55
SLC29A1 Q99808 1/20 0.55

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
SCHEMBL6661148 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6659397 0.89 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6659384 0.89 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL7067811 0.88 ADORA1 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7067807 0.88 ADORA1 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6661352 0.85 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL6661361 0.85 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL19799156 0.83 ADORA3 (0.79) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL12192981 0.83 ADORA3 (0.79) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL8604493 0.83 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2BMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP claimed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US claimed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP claimed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed