SCHEMBL7208455

SCHEMBL7208455

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(N[C@@H]5CCNC5)nc43)[C@H](O)[C@@H]2OC=O)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.39
ADORA2B P29275 4/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36

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 SCHEMBL7208452 0.92 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7211364 0.92 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7568162 0.91 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7205326 0.91 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7204948 0.90 ADORA2A (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7208885 0.89 ADORA2A (0.38) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7211360 0.88 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7204947 0.86 ADORA2A (0.45) ADORA2A
Formic Acid SCHEMBL7208884 0.85 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7204186 0.85 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1

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 disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed