SCHEMBL7202955

SCHEMBL7202955

Cc1noc([C@H]2O[C@@H](n3cnc4c(N)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2OC=O)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.43
ADORA2B P29275 6/20 0.43
ADORA3 P0DMS8 6/20 0.43
ADORA1 P30542 5/20 0.43

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
SCHEMBL7567111 0.92 ADORA3 (0.44) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7202947 0.92 ADORA3 (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7203734 0.91 ADORA3 (0.50) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7566399 0.88 ADORA2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL7230919 0.84 ADORA2A (0.47) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7567103 0.83 ADORA3 (0.48) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7207501 0.82 ADORA3 (0.51) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7566394 0.79 ADORA2A (0.45) ADORA2AADORA2BADORA1
SCHEMBL7207963 0.78 ADORA2A (0.44) ADORA2AADORA2BADORA1
SCHEMBL7221852 0.77 ADORA2A (0.38) 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