SCHEMBL7208804

SCHEMBL7208804

Cc1noc([C@H]2O[C@@H](n3cnc4c(N)nc(NC5CCCC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.65
ADORA1 P30542 5/20 0.47
ADORA3 P0DMS8 4/20 0.47
ADORA2B P29275 3/20 0.47

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
SCHEMBL8100492 1.00 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2B
Formic Acid SCHEMBL7208261 0.96 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7208270 0.90 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7208265 0.88 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7204932 0.84 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2776512 0.82 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6574959 0.82 ADORA3 (0.62) ADORA2AADORA1ADORA3ADORA2B
Formic Acid SCHEMBL7574645 0.81 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8091540 0.80 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7203902 0.80 ADORA2A (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US claimed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed