SCHEMBL6945923

SCHEMBL6945923

CCC(CC)Nc1nc(NCCc2cn(C)cn2)nc2c1ncn2[C@@H]1O[C@H](c2cc(C=NO)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.47
ADORA3 P0DMS8 6/20 0.47
ADORA2B P29275 6/20 0.41
PGK1 P00558 3/20 0.41
PGK2 P07205 3/20 0.41
ADORA1 P30542 3/20 0.39

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
SCHEMBL6835046 0.90 ADORA2A (0.49) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL6839116 0.90 ADORA2A (0.51) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL6838958 0.89 ADORA2A (0.50) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL6838929 0.89 ADORA2A (0.50) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL7603058 0.89 ADORA2A (0.50) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL6835019 0.88 ADORA2A (0.49) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL6839933 0.85 ADORA2A (0.48) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL7593623 0.85 ADORA2A (0.47) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL7204041 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA2BPGK1PGK2
SCHEMBL7208447 0.84 ADORA2A (0.47) ADORA2AADORA3ADORA2BPGK1PGK2

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
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