SCHEMBL6884997

SCHEMBL6884997

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
ADK P55263 1/20 0.32
TK2 O00142 1/20 0.32
TK1 P04183 1/20 0.32
PDE5A O76074 2/20 0.32
TSHR P16473 1/20 0.32
SLC5A2 P31639 2/20 0.31
SLC5A1 P13866 1/20 0.30
PYGB P11216 1/20 0.30

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
SCHEMBL6887561 0.92 GSK3B (0.39) GSK3BADKPDE5ATSHRSLC5A2
SCHEMBL6887652 0.90 GSK3B (0.46) GSK3BADKPDE5ATSHRSLC5A2
SCHEMBL6885786 0.84 GSK3B (0.40) GSK3BADKPDE5ATSHR
SCHEMBL6882003 0.83 GSK3B (0.38) GSK3BADKTSHR
SCHEMBL6888305 0.83 GSK3B (0.38) GSK3BADKPDE5ATSHR
SCHEMBL6887568 0.82 SLC5A2 (0.39) GSK3BSLC5A2SLC5A1
SCHEMBL6888278 0.82 GSK3B (0.38) GSK3BADKTSHR
SCHEMBL6887576 0.82 GSK3B (0.34) GSK3BSLC5A2SLC5A1
SCHEMBL6887049 0.82 GSK3B (0.48) GSK3BADKTSHRSLC5A2PYGB
SCHEMBL6886373 0.80 GSK3B (0.36) GSK3BADKTSHR

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