SCHEMBL7067739

SCHEMBL7067739

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(F)(F)F)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADORA2A P29274 2/20 0.70
ADORA2B P29275 2/20 0.70
DPP4 P27487 1/20 0.70
MEN1 O00255 1/20 0.70
SLC28A1 O00337 1/20 0.70
MAP3K7 O43318 1/20 0.70
SLC28A2 O43868 1/20 0.70
GAPDH P04406 1/20 0.70
MAPK1 P28482 1/20 0.70
STAT6 P42226 1/20 0.70
PI4KA P42356 1/20 0.70
KMT2A Q03164 1/20 0.70
PI4K2B Q8TCG2 1/20 0.70
DOT1L Q8TEK3 1/20 0.70
SLC29A1 Q99808 1/20 0.70
PI4K2A Q9BTU6 1/20 0.70
SLC28A3 Q9HAS3 1/20 0.70

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
SCHEMBL16554813 1.00 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7067735 1.00 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL6246363 0.88 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7732691 0.87 TYMP (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8610903 0.87 ADORA1 (0.82) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8610899 0.87 ADORA1 (0.82) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL31484253 0.87 ADORA1 (0.82) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10997946 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL12963362 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2040670 0.86 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027363-B1 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2003-06-04 EP claimed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US claimed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP claimed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed