SCHEMBL22001609

SCHEMBL22001609

CCCNP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.73
TGM2 P21980 1/20 0.72
KRAS P01116 11/20 0.66
HINT1 P49773 4/20 0.65
FUT5 Q11128 1/20 0.63
IMPDH2 P12268 1/20 0.62
IMPDH1 P20839 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62

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
SCHEMBL21742683 0.92 NT5E (0.74) NT5ETGM2KRASHINT1FUT5
SCHEMBL22001485 0.91 NT5E (0.67) NT5ETGM2KRASHINT1FUT5
SCHEMBL1894736 0.89 TGM2 (0.87) NT5ETGM2KRASHINT1FUT5
SCHEMBL21742682 0.89 NT5E (0.69) NT5ETGM2KRASHINT1FUT5
SCHEMBL5356571 0.89 NT5E (0.81) NT5ETGM2KRASHINT1FUT5
SCHEMBL9238744 0.88 NT5E (0.80) NT5ETGM2KRASHINT1FUT5
SCHEMBL12671484 0.88 NT5E (0.80) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL13497991 0.88 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL21163348 0.88 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL18759049 0.88 NT5E (0.83) NT5ETGM2KRASHINT1FUT5

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-3484907-B1 NOVEL PHOSPHOTRIAZOLE MRNA 5'-END CAP ANALOGS, COMPOSITION COMPRISING THE SAME, RNA MOLECULE INCORPORATING THE SAME, USES THEREOF AND METHOD OF SYNTHESIZING RNA MOLECULE, PROTEIN OR PEPTIDE UNIV WARSZAWSKI (PL) 2020-05-13 EP disclosed