SCHEMBL7201966

SCHEMBL7201966

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CC(C)C)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.48
ADORA3 P0DMS8 7/20 0.48
ADORA1 P30542 7/20 0.48
ADORA2B P29275 6/20 0.48

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 SCHEMBL7203435 0.97 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7203442 0.92 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103824 0.85 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211345 0.85 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7204100 0.83 ADORA2A (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7201970 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7588051 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5094337 0.82 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7114219 0.82 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7103257 0.82 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B

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 6 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
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed