SCHEMBL9569345

SCHEMBL9569345

Nc1nc(NC=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)C3(F)F)c2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
ADORA1 P30542 3/20 0.51
PGK1 P00558 1/20 0.49
PGK2 P07205 1/20 0.49
SLC29A1 Q99808 4/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
ADORA2A P29274 3/20 0.46
ADORA2B P29275 2/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADA P00813 1/20 0.41

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
SCHEMBL26039175 0.88 ADORA3 (0.66) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL9569366 0.88 ADORA3 (0.66) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL26780511 0.88 ADORA3 (0.66) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL14045433 0.86 PGK1 (0.54) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL13939520 0.85 ADORA3 (0.52) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL13964626 0.85 ADORA3 (0.52) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL8713052 0.84 ADORA2A (0.54) ADORA3ADORA1PGK1PGK2SLC29A1
SCHEMBL8824300 0.84 ADORA2A (0.59) ADORA3ADORA1SLC29A1PDE4DPDE3A
SCHEMBL8824287 0.84 ADORA2A (0.59) ADORA3ADORA1SLC29A1PDE4DPDE3A
SCHEMBL9569388 0.84 SLC29A1 (0.51) ADORA3ADORA1PGK1PGK2SLC29A1

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-0576227-A2 2'-Deoxy-2',2'-difluoro(2,6,8-substituted) purine nucleosides having anti-viral and anti-cancer activity and intermediates ELI LILLY AND COMPANY (US) 1993-12-29 EP claimed
EP-0576227-A2 2'-Deoxy-2',2'-difluoro(2,6,8-substituted) purine nucleosides having anti-viral and anti-cancer activity and intermediates ELI LILLY AND COMPANY (US) 1993-12-29 EP disclosed