SCHEMBL6882003

SCHEMBL6882003

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.35
TSHR P16473 1/20 0.32
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
AKR1B1 P15121 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
SCHEMBL5697577 0.89 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL11198199 0.89 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL6889028 0.89 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL3718127 0.89 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL3363495 0.89 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL4286250 0.89 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL6888305 0.88 GSK3B (0.38) GSK3BADKTSHRCA1CA2
SCHEMBL8540328 0.88 GSK3B (0.49) GSK3BADKTSHRCA1CA2
SCHEMBL6885786 0.87 GSK3B (0.40) GSK3BADKTSHRCA1CA2
SCHEMBL6888278 0.87 GSK3B (0.38) GSK3BADKTSHRCA1CA2

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