SCHEMBL7026258

SCHEMBL7026258

OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(-c4ccc[nH]4)ncnc32)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.50
BCHE P06276 1/20 0.40
GSK3A P49840 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAPK14 Q16539 1/20 0.40
ADK P55263 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.39
SLC28A1 O00337 1/20 0.39
MAP3K7 O43318 1/20 0.39
SLC28A2 O43868 1/20 0.39
GAPDH P04406 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2B P29275 1/20 0.39
STAT6 P42226 1/20 0.39
PI4KA P42356 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7025315 0.82 SLC29A1 (0.61) SLC29A1ADKADORA3ADORA2AADORA1
SCHEMBL7025980 0.82 SLC29A1 (0.61) SLC29A1ADKADORA3ADORA2AADORA1
SCHEMBL7018814 0.82 SLC29A1 (0.61) SLC29A1ADKADORA3ADORA2AADORA1
SCHEMBL98801 0.78 SLC29A1 (0.56) SLC29A1ADORA3ADORA2AADORA1DPP4
SCHEMBL98800 0.78 SLC29A1 (0.56) SLC29A1ADORA3ADORA2AADORA1DPP4
Cordycepin SCHEMBL23735980 0.77 ADORA3 (0.63) SLC29A1ADORA3ADORA2AADORA1DPP4
Cordycepin SCHEMBL21562220 0.77 ADORA3 (0.63) SLC29A1ADORA3ADORA2AADORA1DPP4
Cordycepin SCHEMBL20419244 0.77 ADORA3 (0.63) SLC29A1ADORA3ADORA2AADORA1DPP4
SCHEMBL24538657 0.77 SLC29A1 (0.55) SLC29A1ADORA3ADORA2AADORA1DPP4
Cordycepin SCHEMBL21591024 0.77 ADORA3 (0.63) SLC29A1ADORA3ADORA2AADORA1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO claimed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed