SCHEMBL7567111

SCHEMBL7567111

CCc1noc([C@H]2O[C@@H](n3cnc4c(N)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2OC=O)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.44
ADORA1 P30542 6/20 0.44
ADORA2A P29274 10/20 0.42
ADORA2B P29275 7/20 0.42

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
SCHEMBL7202955 0.92 ADORA2A (0.43) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7567103 0.92 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7207501 0.91 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7202947 0.83 ADORA3 (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7230919 0.83 ADORA2A (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7203734 0.82 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7566399 0.81 ADORA2A (0.41) ADORA1ADORA2AADORA2B
SCHEMBL7203442 0.78 ADORA2A (0.45) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7567108 0.77 ADORA2A (0.57) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7103630 0.76 ADORA2A (0.46) ADORA3ADORA1ADORA2AADORA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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