SCHEMBL6880579

SCHEMBL6880579

O=c1nc(N[C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)c(C=CBr)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.37
GSK3B P49841 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TK1 P04183 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADK P55263 1/20 0.32

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
SCHEMBL6887251 0.93 GSK3B (0.35) TK2GSK3BTSHRADK
SCHEMBL6886915 0.91 GSK3B (0.43) TK2GSK3BTSHRADK
SCHEMBL6886433 0.91 GSK3B (0.37) GSK3BADK
SCHEMBL6886434 0.90 HDAC1 (0.35) GSK3BTSHRADK
SCHEMBL6886373 0.88 GSK3B (0.36) GSK3BTSHRADK
SCHEMBL6888982 0.88 GSK3B (0.33) GSK3BADK
SCHEMBL6888278 0.84 GSK3B (0.38) GSK3BTSHRADK
SCHEMBL6888305 0.83 GSK3B (0.38) GSK3BTSHRADK
SCHEMBL6882003 0.83 GSK3B (0.38) GSK3BTSHRADK
SCHEMBL6885503 0.83 GSK3B (0.43) GSK3BTSHRADK

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