SCHEMBL6242501

SCHEMBL6242501

CCC(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 10/20 0.62
GSK3A P49840 2/20 0.58
RPS6KA3 P51812 2/20 0.58
MAPK14 Q16539 2/20 0.58
NT5E P21589 1/20 0.57
PNP P00491 1/20 0.54
TGM2 P21980 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
FUT5 Q11128 1/20 0.51
KRAS P01116 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49

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
SCHEMBL6242503 0.92 HINT1 (0.58) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL6242227 0.84 HINT1 (0.50) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1138806 0.83 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL17082332 0.80 HINT1 (0.67) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1138984 0.80 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.80 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.80 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.80 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
2'-Beta-Methyl-Guanosine SCHEMBL15338533 0.80 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
2'-Beta-Methyl-Guanosine SCHEMBL383785 0.80 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223173-B1 Novel 2'-O-alkyl nucleosides and phosphoramidites processes for the preparation and uses thereof ISIS PHARMACEUTICALS INC (US) 2005-07-13 EP disclosed
US-5856466-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-01-05 US disclosed