SCHEMBL7068486

SCHEMBL7068486

CNS(=O)(=O)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(F)(F)F)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.54
P2RX3 P56373 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 1/20 0.50
DNPH1 O43598 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL6660710 0.88 SLC29A1 (0.58) SLC29A1ADORA1ADORA3ADORA2ANFKB1
SCHEMBL7732676 0.85 SLC29A1 (0.55) SLC29A1P2RX3P2RX2ADORA1ADORA3
SCHEMBL5364270 0.81 DOT1L (0.59) ADORA1ADORA3
SCHEMBL5364283 0.81 DOT1L (0.59) ADORA1ADORA3
SCHEMBL5372073 0.81 ADORA3 (0.64) ADORA1ADORA3ADORA2ADNPH1NFKB1
SCHEMBL5372080 0.81 ADORA3 (0.64) ADORA1ADORA3ADORA2ADNPH1NFKB1
SCHEMBL8079835 0.80 ADORA3 (0.51) SLC29A1P2RX3P2RX2ADORA1ADORA3
SCHEMBL5366331 0.79 ADORA3 (0.58) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL5366323 0.79 ADORA3 (0.58) SLC29A1ADORA1ADORA3ADORA2ATSHR
SCHEMBL6663125 0.78 NT5E (0.53) ADORA1ADORA3ADORA2A

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