SCHEMBL6889230

SCHEMBL6889230

C=CCc1c[nH]c(=O)nc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
ADK P55263 1/20 0.40
TSHR P16473 1/20 0.37
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
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC5A2 P31639 1/20 0.34

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
SCHEMBL9856420 0.87 GSK3B (0.47) GSK3BADKTSHRCA1CA2
SCHEMBL15019404 0.86 GSK3B (0.48) GSK3BADKTSHRCA1CA2
SCHEMBL2161457 0.86 GSK3B (0.48) GSK3BADKTSHRCA1CA2
SCHEMBL6887049 0.86 GSK3B (0.48) GSK3BADKTSHRCA1CA2
SCHEMBL454030 0.86 GSK3B (0.48) GSK3BADKTSHRCA1CA2
SCHEMBL6886429 0.84 GSK3B (0.33) GSK3B
SCHEMBL6880102 0.84 GSK3B (0.44) GSK3BADKTSHRCA1CA2
SCHEMBL6887652 0.83 GSK3B (0.46) GSK3BADKTSHRCA1CA2
SCHEMBL5697577 0.81 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