SCHEMBL30867115

SCHEMBL30867115

Nc1nc2c(ncn2[C@@H]2O[C@H](C(O)OP(=O)(O)c3ncc[nH]3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.53
TGM2 P21980 1/20 0.49
GSK3A P49840 2/20 0.48
RPS6KA3 P51812 2/20 0.48
MAPK14 Q16539 2/20 0.48
HINT1 P49773 1/20 0.47
IMPDH2 P12268 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KRAS P01116 9/20 0.46
FUT5 Q11128 1/20 0.45
STING1 Q86WV6 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL4081026 0.87 NT5E (0.60) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL5861503 0.87 NT5E (0.60) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL31467306 0.83 NT5E (0.36) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL31207873 0.83 NT5E (0.48) NT5ETGM2GSK3ARPS6KA3MAPK14
Guanosine SCHEMBL2447866 0.81 NT5E (0.62) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL22636005 0.81 NT5E (0.62) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL22498538 0.81 NT5E (0.62) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL7535718 0.80 HINT1 (0.58) NT5ETGM2GSK3ARPS6KA3MAPK14
SCHEMBL9124928 0.79 NT5E (0.53) NT5ETGM2HINT1IMPDH2KRAS
SCHEMBL407394 0.79 NT5E (0.59) NT5ETGM2GSK3ARPS6KA3MAPK14

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
CN-117858885-A Method and device for purifying nucleotide, and hydrophobic reagent and hydrophobic substrate 国立研究开发法人科学技术振兴机构 2024-04-09 CN disclosed