SCHEMBL6887652

SCHEMBL6887652

CCCc1c[nH]c(=O)nc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
TSHR P16473 1/20 0.40
ADK P55263 1/20 0.40
PYGB P11216 2/20 0.39
SLC5A2 P31639 1/20 0.39
GAA P10253 1/20 0.38
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
GRK6 P43250 2/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL6887049 0.92 GSK3B (0.48) GSK3BTSHRADKPYGBSLC5A2
SCHEMBL6884997 0.90 GSK3B (0.37) GSK3BTSHRADKPYGBSLC5A2
SCHEMBL9856420 0.88 GSK3B (0.47) GSK3BTSHRADKSLC5A2CA1
SCHEMBL454030 0.87 GSK3B (0.48) GSK3BTSHRADKSLC5A2CA1
SCHEMBL15019404 0.87 GSK3B (0.48) GSK3BTSHRADKSLC5A2CA1
SCHEMBL2161457 0.87 GSK3B (0.48) GSK3BTSHRADKSLC5A2CA1
SCHEMBL6887576 0.85 GSK3B (0.34) GSK3BSLC5A2CA1CA2
SCHEMBL6887317 0.83 GSK3B (0.49) GSK3BTSHRADKPYGBGAA
SCHEMBL5697584 0.83 GSK3B (0.49) GSK3BTSHRADKPYGBGAA
SCHEMBL5953292 0.83 GSK3B (0.49) GSK3BTSHRADKPYGBGAA

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