SCHEMBL22001580

SCHEMBL22001580

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

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.63
TGM2 P21980 1/20 0.61
FUT5 Q11128 1/20 0.57
HINT1 P49773 3/20 0.56
KRAS P01116 9/20 0.56
IMPDH2 P12268 3/20 0.56
IMPDH1 P20839 1/20 0.56
P2RY2 P41231 1/20 0.53
P2RY4 P51582 1/20 0.53
P2RY6 Q15077 1/20 0.53
DCPS Q96C86 1/20 0.52

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
SCHEMBL22001583 0.98 NT5E (0.64) NT5ETGM2FUT5HINT1KRAS
SCHEMBL22001334 0.92 NT5E (0.62) NT5ETGM2FUT5HINT1KRAS
SCHEMBL21184238 0.91 NT5E (0.71) NT5ETGM2FUT5HINT1KRAS
SCHEMBL22001615 0.90 NT5E (0.65) NT5ETGM2FUT5HINT1KRAS
SCHEMBL21413213 0.88 NT5E (0.70) NT5ETGM2FUT5HINT1KRAS
SCHEMBL28443133 0.88 NT5E (0.76) NT5ETGM2FUT5HINT1KRAS
SCHEMBL22001500 0.87 NT5E (0.67) NT5ETGM2FUT5HINT1KRAS
SCHEMBL18648315 0.86 NT5E (0.71) NT5ETGM2FUT5HINT1KRAS
SCHEMBL20850061 0.86 NT5E (0.71) NT5ETGM2FUT5HINT1KRAS
SCHEMBL15747222 0.86 NT5E (0.71) NT5ETGM2FUT5HINT1KRAS

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