SCHEMBL6574632

SCHEMBL6574632

CC(C)(C)c1nnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@@H]2O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.65
ADORA1 P30542 12/20 0.65
ADORA2A P29274 10/20 0.65
ADORA2B P29275 5/20 0.65

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
SCHEMBL6906926 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6906932 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6906923 1.00 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574649 0.84 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2B
Gw493838 SCHEMBL6935807 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
Gw493838 SCHEMBL29384676 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
Gw493838 SCHEMBL6696560 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
Gw493838 SCHEMBL6225102 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
Gw493838 SCHEMBL6250937 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572751 0.81 ADORA3 (0.71) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
JP-3378240-B2 2003-02-17 JP claimed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US claimed
JP-2002518509-A 2002-06-25 JP claimed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US disclosed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed