SCHEMBL6885503

SCHEMBL6885503

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
ADK P55263 1/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL6886915 0.91 GSK3B (0.43) GSK3BADKTSHRCA1CA2
SCHEMBL6887251 0.90 GSK3B (0.35) GSK3BADKTSHR
SCHEMBL6887042 0.90 GSK3B (0.42) GSK3BADKTSHRCA1CA2
SCHEMBL6886773 0.89 GSK3B (0.45) GSK3BADKTSHRCA1CA2
SCHEMBL6889041 0.86 GSK3B (0.42) GSK3BADKTSHR
SCHEMBL6880102 0.86 GSK3B (0.44) GSK3BADKTSHRCA1CA2
SCHEMBL6884779 0.84 GSK3B (0.33) GSK3BTSHR
SCHEMBL6880579 0.83 TK2 (0.37) GSK3BADKTSHR
SCHEMBL6887314 0.82 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL6889028 0.81 GSK3B (0.47) 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