SCHEMBL4963673

SCHEMBL4963673

Nc1nc2c(ncn2[C@@H]2O[C@H](COCc3cc4ccccc4s3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 10/20 0.60
GSK3A P49840 2/20 0.59
RPS6KA3 P51812 2/20 0.59
MAPK14 Q16539 2/20 0.59
NT5E P21589 1/20 0.58
PNP P00491 1/20 0.55
TGM2 P21980 1/20 0.54
KRAS P01116 4/20 0.50
FUT5 Q11128 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
SCHEMBL1533274 0.86 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL17845832 0.83 HINT1 (0.67) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL8722353 0.83 HINT1 (0.61) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1138984 0.81 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL2335177 0.81 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL6826563 0.80 HINT1 (0.68) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL3970953 0.80 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL17355882 0.80 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL3514472 0.80 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL6239924 0.79 HINT1 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4054057-B2 2008-02-27 JP claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP claimed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO disclosed