SCHEMBL6662687

SCHEMBL6662687

CC(C)(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)C(O)C1O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.66
ADORA3 P0DMS8 1/20 0.66
ADORA2A P29274 1/20 0.66
DOT1L Q8TEK3 1/20 0.63

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
SCHEMBL6662680 1.00 ADORA1 (0.66) ADORA1ADORA3ADORA2ADOT1L
SCHEMBL5376478 0.87 DOT1L (0.64) ADORA1ADORA3ADORA2ADOT1L
SCHEMBL5376488 0.87 DOT1L (0.64) ADORA1ADORA3ADORA2ADOT1L
SCHEMBL6662994 0.87 ADORA3 (0.71) ADORA1ADORA3DOT1L
SCHEMBL6663002 0.87 ADORA3 (0.71) ADORA1ADORA3DOT1L
SCHEMBL5364283 0.87 DOT1L (0.59) ADORA1ADORA3DOT1L
SCHEMBL5364270 0.87 DOT1L (0.59) ADORA1ADORA3DOT1L
SCHEMBL21839554 0.81 NT5E (0.61) ADORA3DOT1L
SCHEMBL9815315 0.80 ADORA1 (0.62) ADORA1ADORA3ADORA2ADOT1L
SCHEMBL6688139 0.80 ADORA1 (0.62) ADORA1ADORA3ADORA2ADOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP claimed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US claimed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP claimed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed