SCHEMBL6839296

SCHEMBL6839296

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.52
ADORA3 P0DMS8 8/20 0.41
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL7639455 0.88 ADORA2A (0.53) ADORA2AADORA3PGK1PGK2
SCHEMBL6835061 0.88 ADORA2A (0.53) ADORA2AADORA3PGK1PGK2
SCHEMBL8087286 0.88 ADORA2A (0.53) ADORA2AADORA3PGK1PGK2
SCHEMBL7598531 0.88 ADORA2A (0.53) ADORA2AADORA3PGK1PGK2
SCHEMBL6839840 0.87 PGK1 (0.41) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL6839113 0.86 PGK1 (0.57) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL7595603 0.86 PGK1 (0.57) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL6839061 0.86 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL7594742 0.86 ADORA2A (0.58) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL7596097 0.86 ADORA2A (0.58) ADORA2AADORA3PGK1PGK2ADORA1

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 7 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-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO disclosed