SCHEMBL8079835

SCHEMBL8079835

CNS(=O)(=O)CCNc1nc(C)nc2c1ncn2[C@@H]1O[C@H](COC)[C@@H](O)[C@H]1O.COC[C@H]1O[C@@H](n2cnc3c(NCCCN)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.51
P2RX3 P56373 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
SLC29A1 Q99808 1/20 0.50
ADORA1 P30542 3/20 0.48
ADORA2A P29274 2/20 0.46
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
NT5E P21589 1/20 0.45

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
SCHEMBL6663125 0.90 NT5E (0.53) ADORA3ADORA1ADORA2APGK1PGK2
SCHEMBL6657467 0.86 ADORA3 (0.66) ADORA3P2RX3P2RX2SLC29A1ADORA1
SCHEMBL6657460 0.86 ADORA3 (0.66) ADORA3P2RX3P2RX2SLC29A1ADORA1
SCHEMBL9413288 0.80 SLC29A1 (0.57) ADORA3P2RX3P2RX2SLC29A1ADORA1
SCHEMBL7068486 0.80 SLC29A1 (0.54) ADORA3P2RX3P2RX2SLC29A1ADORA1
SCHEMBL6660710 0.79 SLC29A1 (0.58) ADORA3SLC29A1ADORA1ADORA2A
SCHEMBL9413321 0.78 SLC29A1 (0.75) ADORA3P2RX3P2RX2SLC29A1ADORA1
SCHEMBL9413325 0.78 SLC29A1 (0.75) ADORA3P2RX3P2RX2SLC29A1ADORA1
SCHEMBL29936335 0.76 ADORA3 (0.61) ADORA3ADORA1ADORA2ANT5E
SCHEMBL9413293 0.76 ADORA3 (0.61) ADORA3ADORA1ADORA2ANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed