SCHEMBL5954429

SCHEMBL5954429

CC(C)(C)c1ccccc1C(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.69
RPS6KA3 P51812 3/20 0.69
MAPK14 Q16539 3/20 0.69
HINT1 P49773 9/20 0.66
PNP P00491 1/20 0.65
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
NT5E P21589 1/20 0.57
TGM2 P21980 1/20 0.54
KRAS P01116 3/20 0.53
TAAR1 Q96RJ0 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
SCHEMBL6551642 0.87 PNP (0.75) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL5219707 0.86 GSK3A (0.80) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL5954090 0.84 GSK3A (0.67) GSK3ARPS6KA3MAPK14TAS1R3TAS1R1
SCHEMBL217117 0.83 HINT1 (0.80) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL1611244 0.81 HINT1 (0.77) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL439016 0.81 HINT1 (0.78) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL4733243 0.81 HINT1 (0.76) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL784432 0.80 HINT1 (0.75) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL7915394 0.80 HINT1 (0.71) GSK3ARPS6KA3MAPK14HINT1PNP
SCHEMBL9295418 0.80 HINT1 (0.75) GSK3ARPS6KA3MAPK14HINT1PNP

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-0948511-B1 CHEMICAL SYNTHESIS OF NUCLEOSIDES ANALOGS AND THEIR INCORPORATION INTO POLYNUCLEOTIDES SIRNA THERAPEUTICS INC (US) 2006-10-18 EP disclosed