SCHEMBL18744112

SCHEMBL18744112

N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 4/20 0.79
▸ LMNA P02545 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ ADORA1 P30542 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ THPO P40225 2/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ EIF4E P06730 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ TOP1 P11387 1/20 0.60
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ CDA P32320 1/20 0.42
▸ KDM4E B2RXH2 2/20 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
Taribavirin SCHEMBL3307695 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL3307685 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL4967368 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL6981526 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL2619250 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL2631656 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL16330745 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL12758161 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL18735565 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1
Taribavirin SCHEMBL40670 0.88 PNP (1.00) PNPLMNASMN1; SMN2ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 — — US disclosed
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