SCHEMBL6839818

SCHEMBL6839818

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCCC5CCCCC5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.46
PGK1 P00558 3/20 0.43
PGK2 P07205 3/20 0.43
ADORA3 P0DMS8 5/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 2/20 0.41
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
TSHR P16473 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
Formic Acid SCHEMBL6943622 0.97 ADORA2A (0.44) ADORA2APGK1PGK2ADORA3ADORA1
SCHEMBL6839241 0.87 ADORA2A (0.49) ADORA2APGK1PGK2ADORA3ADORA1
SCHEMBL6841624 0.86 ADORA2A (0.43) ADORA2APGK1PGK2ADORA1ADORA2B
SCHEMBL6841745 0.85 ADORA3 (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103493 0.85 ADORA2A (0.47) ADORA2APGK1PGK2ADORA3ADORA1
Formic Acid SCHEMBL6839784 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6835095 0.83 ADORA3 (0.44) ADORA2APGK1PGK2ADORA3ADORA1
Formic Acid SCHEMBL7595821 0.83 ADORA2A (0.44) ADORA2AADORA1ADORA2B
SCHEMBL6839820 0.83 ADORA2A (0.53) ADORA2APGK1PGK2ADORA3ADORA1
Formic Acid SCHEMBL7104783 0.82 ADORA2A (0.45) ADORA2APGK1PGK2ADORA3ADORA1

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 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