SCHEMBL2335177

SCHEMBL2335177

Nc1nc2c(ncn2[C@@H]2O[C@H](COCF)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.69
NT5E P21589 1/20 0.69
GSK3A P49840 2/20 0.65
RPS6KA3 P51812 2/20 0.65
MAPK14 Q16539 2/20 0.65
PNP P00491 1/20 0.65
TGM2 P21980 1/20 0.64
IMPDH2 P12268 1/20 0.61
KRAS P01116 6/20 0.58
FUT5 Q11128 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL1138984 0.90 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6826563 0.89 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3970953 0.89 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL17355882 0.89 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3514472 0.89 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6239924 0.88 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7098413 0.88 HINT1 (0.67) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16163344 0.88 HINT1 (0.70) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7111080 0.88 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2014087 0.88 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14

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
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed