SCHEMBL6886849

SCHEMBL6886849

CCOC(=O)c1c[nH]c(=O)nc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADK P55263 1/20 0.38
PYGB P11216 3/20 0.38
GAA P10253 1/20 0.38
GRK6 P43250 2/20 0.36
SLC5A2 P31639 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL6888000 0.87 MEN1 (0.35) GSK3BMEN1KMT2A
SCHEMBL6880602 0.86 TSHR (0.49) GSK3BTSHRADKPYGBGAA
SCHEMBL6887507 0.84 GSK3B (0.44) GSK3BTSHRADKCA1CA2
SCHEMBL5953292 0.82 GSK3B (0.49) GSK3BTSHRADKPYGBGAA
SCHEMBL6887317 0.82 GSK3B (0.49) GSK3BTSHRADKPYGBGAA
SCHEMBL5697584 0.82 GSK3B (0.49) GSK3BTSHRADKPYGBGAA
SCHEMBL6886820 0.82 MEN1 (0.38) MEN1KMT2AGAA
SCHEMBL6887049 0.81 GSK3B (0.48) GSK3BTSHRADKPYGBGAA
SCHEMBL4286250 0.79 GSK3B (0.47) GSK3BTSHRADKGRK6CA1
SCHEMBL5697577 0.79 GSK3B (0.47) GSK3BTSHRADKGRK6CA1

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-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed