SCHEMBL6239885

SCHEMBL6239885

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 11/20 0.44
GSK3A P49840 2/20 0.41
RPS6KA3 P51812 2/20 0.41
MAPK14 Q16539 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PNP P00491 1/20 0.40
NT5E P21589 1/20 0.40
KRAS P01116 2/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL6243042 0.86 HINT1 (0.50) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL6242507 0.86 HINT1 (0.50) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL14896399 0.85 HINT1 (0.49) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL6242581 0.84 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL6241689 0.83 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL6242501 0.82 HINT1 (0.62) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL1919142 0.81 HINT1 (0.59) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5216686 0.76 HINT1 (0.46) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL6242503 0.76 HINT1 (0.58) HINT1GSK3ARPS6KA3MAPK14TAS1R3
SCHEMBL2365649 0.75 HINT1 (0.45) HINT1GSK3ARPS6KA3MAPK14TAS1R3

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-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