SCHEMBL9569388

SCHEMBL9569388

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 9/20 0.51
PDE4D Q08499 2/20 0.51
PDE3A Q14432 2/20 0.51
ADORA2A P29274 3/20 0.51
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 2/20 0.47
PGK1 P00558 1/20 0.45
PGK2 P07205 1/20 0.45
ADA P00813 1/20 0.45
LMNA P02545 1/20 0.44
NT5E P21589 1/20 0.44
HIF1A Q16665 1/20 0.44
PDE2A O00408 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL8824300 0.91 ADORA2A (0.59) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL8824287 0.91 ADORA2A (0.59) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL9569353 0.89 ADORA2A (0.52) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL8713052 0.89 ADORA2A (0.54) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL9569320 0.89 ADORA2A (0.49) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL9739964 0.87 ADORA2A (0.54) SLC29A1ADORA2ACYP2C19ADORA3ADORA1
SCHEMBL9569344 0.87 ADORA2A (0.50) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL9569321 0.86 ADORA2A (0.49) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL9569366 0.86 ADORA3 (0.66) SLC29A1PDE4DPDE3AADORA2ACYP2C19
SCHEMBL9569355 0.86 ADORA2A (0.47) SLC29A1PDE4DPDE3AADORA2ACYP2C19

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