SCHEMBL6887568

SCHEMBL6887568

O=c1nc(N[C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)c(Cc2ccccc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 8/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GSK3B P49841 1/20 0.34
PNP P00491 1/20 0.32
SLC5A1 P13866 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
SCHEMBL6887561 0.85 GSK3B (0.39) SLC5A2GSK3B
SCHEMBL6884997 0.82 GSK3B (0.37) SLC5A2GSK3BSLC5A1
SCHEMBL6886914 0.82 SLC5A2 (0.38) SLC5A2MEN1KMT2AADORA2AADORA1
SCHEMBL6888305 0.81 GSK3B (0.38) GSK3B
SCHEMBL6882003 0.81 GSK3B (0.38) GSK3B
SCHEMBL6888278 0.80 GSK3B (0.38) GSK3B
SCHEMBL6885786 0.80 GSK3B (0.40) GSK3B
SCHEMBL6886886 0.79 ADORA2A (0.35) SLC5A2MEN1KMT2AADORA2AADORA1
SCHEMBL6880579 0.78 TK2 (0.37) GSK3B
SCHEMBL6886373 0.77 GSK3B (0.36) GSK3B

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