SCHEMBL6839736

SCHEMBL6839736

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCCC(C)(C)C)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.45
PGK2 P07205 3/20 0.45
ADORA2A P29274 16/20 0.45
ADORA3 P0DMS8 6/20 0.45
ADORA2B P29275 3/20 0.40
ADORA1 P30542 3/20 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
SCHEMBL7601070 0.90 ADORA2A (0.53) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6838984 0.90 ADORA2A (0.53) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6839116 0.89 ADORA2A (0.51) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6839242 0.88 PGK1 (0.52) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7205046 0.88 PGK1 (0.45) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6839382 0.88 ADORA2A (0.46) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6835061 0.87 ADORA2A (0.53) PGK1PGK2ADORA2AADORA3
SCHEMBL7639455 0.87 ADORA2A (0.53) PGK1PGK2ADORA2AADORA3
SCHEMBL7598531 0.87 ADORA2A (0.53) PGK1PGK2ADORA2AADORA3
SCHEMBL8087286 0.87 ADORA2A (0.53) PGK1PGK2ADORA2AADORA3

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 10 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
WO-2003080613-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES IN THE SYNTHESIS OF 2- (PURIN-9-YL) - TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP disclosed
WO-2002067909-A1 NEW METHOD OF BRONCHODILATORY THERAPY GLAXO GROUP LIMITED (GB) 2002-09-06 WO 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