SCHEMBL6839786

SCHEMBL6839786

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC=O)[C@@H]2O)on1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.46
ADORA1 P30542 5/20 0.46
ADORA3 P0DMS8 4/20 0.46
ADORA2B P29275 4/20 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
SCHEMBL7601344 0.91 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6839238 0.91 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7601339 0.91 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7104998 0.90 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6839112 0.89 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8092301 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6943628 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7103626 0.88 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7104788 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7595823 0.86 ADORA1 (0.48) ADORA2AADORA1ADORA3ADORA2B

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 4 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 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