SCHEMBL6839859

SCHEMBL6839859

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5)nc(NCCc5ccccn5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.53
PGK2 P07205 3/20 0.53
ADORA3 P0DMS8 7/20 0.48
ADORA2A P29274 5/20 0.48
ADORA2B P29275 5/20 0.48
ADORA1 P30542 5/20 0.48
NT5E P21589 2/20 0.46

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
SCHEMBL6839242 0.90 PGK1 (0.52) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL6835034 0.89 PGK1 (0.46) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL6841617 0.87 ADORA2A (0.45) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7596097 0.87 ADORA2A (0.58) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7594742 0.87 ADORA2A (0.58) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL6839057 0.87 ADORA2A (0.58) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL6834990 0.86 ADORA2A (0.45) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL6839957 0.84 PGK1 (0.46) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL6839113 0.83 PGK1 (0.57) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7595603 0.83 PGK1 (0.57) PGK1PGK2ADORA3ADORA2AADORA2B

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 8 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
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