SCHEMBL6881900

SCHEMBL6881900

COc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OS(C)(=O)=O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
ADORA2A P29274 10/20 0.45
ADORA2B P29275 2/20 0.44
ADORA3 P0DMS8 8/20 0.44
ADORA1 P30542 7/20 0.44
ACHE P22303 2/20 0.44

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
SCHEMBL6886954 0.89 ACHE (0.56) SLC29A1TAS1R3TAS1R1ADORA2AADORA2B
SCHEMBL13471113 0.88 SLC29A1 (0.59) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL6885472 0.82 SLC29A1 (0.52) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL13468263 0.79 ADORA2A (0.58) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL9681390 0.79 HINT1 (0.51) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL6889026 0.77 LMNA (0.69) ADORA2AADORA2BADORA3ADORA1
SCHEMBL18479661 0.76 SLC29A1 (0.61) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL27621467 0.75 SLC29A1 (0.66) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL6758859 0.75 SLC29A1 (0.61) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL6758863 0.75 SLC29A1 (0.61) SLC29A1ADORA2AADORA2BADORA3ADORA1

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-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed