SCHEMBL161814

SCHEMBL161814

CN(CCCl)c1ccc(CN(C[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)P(=O)(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.52
HINT1 P49773 2/20 0.51
TGM2 P21980 1/20 0.49
KRAS P01116 11/20 0.49
FUT5 Q11128 1/20 0.47
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
IMPDH2 P12268 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2691311 0.82 HINT1 (0.54) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL9238739 0.76 NT5E (0.69) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL21315718 0.76 HPGD (0.71) NT5EHINT1TGM2KRASGSK3A
Guanosine SCHEMBL31361372 0.76 NT5E (0.72) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL1304255 0.76 NT5E (0.72) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL2589323 0.76 NT5E (0.72) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL94793 0.76 NT5E (0.72) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL44407 0.76 NT5E (0.72) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL376138 0.76 NT5E (0.72) NT5EHINT1TGM2KRASFUT5
Guanosine SCHEMBL5356557 0.75 NT5E (0.70) NT5EHINT1TGM2KRASFUT5

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-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed