SCHEMBL7155302

SCHEMBL7155302

CC(C)C(CO)Nc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](c4nnc[nH]4)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.54
ADORA3 P0DMS8 6/20 0.49
ADORA2B P29275 6/20 0.49
ADORA1 P30542 6/20 0.49

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
SCHEMBL7114222 1.00 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7612382 1.00 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7117081 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7160130 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7118430 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103826 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7148069 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7113331 0.85 ADORA2A (0.73) ADORA2A
SCHEMBL7521901 0.84 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7521870 0.84 ADORA2A (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090020-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-05 EP claimed