SCHEMBL9116032

SCHEMBL9116032

C#CCOC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.66
▸ NT5E P21589 1/20 0.66
▸ GSK3A P49840 2/20 0.62
▸ RPS6KA3 P51812 2/20 0.62
▸ MAPK14 Q16539 2/20 0.62
▸ PNP P00491 1/20 0.62
▸ TGM2 P21980 1/20 0.61
▸ KRAS P01116 7/20 0.56
▸ FUT5 Q11128 1/20 0.55
▸ HPGD P15428 1/20 0.54

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
SCHEMBL2057228 0.89 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL15798640 0.89 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2335177 0.87 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1138984 0.87 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16840848 0.87 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6826563 0.87 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14178447 0.86 FUT5 (0.68) NT5ETGM2KRASFUT5
SCHEMBL2167315 0.86 TGM2 (0.75) HINT1NT5ETGM2KRASFUT5
SCHEMBL3970953 0.86 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3514472 0.86 HINT1 (0.73) 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
WO-1995018139-A1 SYNTHESIS OF PROPARGYL MODIFIED NUCLEOSIDES AND PHOSPHORAMIDITES AND THEIR INCORPORATION INTO DEFINED SEQUENCE OLIGONUCLEOTIDES CHEMGENES CORPORATION (US) 1995-07-06 — — WO disclosed
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