SCHEMBL7201970

SCHEMBL7201970

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.53
ADORA3 P0DMS8 7/20 0.51
ADORA2B P29275 7/20 0.51
ADORA1 P30542 7/20 0.51

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
SCHEMBL7588051 1.00 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203440 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204100 0.89 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7209484 0.86 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7211345 0.86 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7205489 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204211 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103826 0.84 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7148069 0.84 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7202884 0.84 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1

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