SCHEMBL6839811

SCHEMBL6839811

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CCS(=O)(=O)CC5)nc(NCCN5CCCCC5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.49
ADORA3 P0DMS8 11/20 0.47
ADORA1 P30542 4/20 0.47
ADORA2B P29275 2/20 0.41

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
SCHEMBL6835026 0.93 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839327 0.91 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839827 0.91 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7599263 0.87 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839061 0.86 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL6841741 0.85 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7639455 0.84 ADORA2A (0.53) ADORA2AADORA3
SCHEMBL7598531 0.84 ADORA2A (0.53) ADORA2AADORA3
SCHEMBL8087286 0.84 ADORA2A (0.53) ADORA2AADORA3
SCHEMBL6835061 0.84 ADORA2A (0.53) ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US claimed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP claimed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO claimed
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US disclosed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP disclosed