SCHEMBL6886434

SCHEMBL6886434

O=C(O)C=Cc1c[nH]c(=O)nc1N[C@@H]1O[C@H](CO)[C@H](Br)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
GSK3B P49841 1/20 0.34
ADK P55263 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6888982 0.92 GSK3B (0.33) GSK3BADK
SCHEMBL6887251 0.91 GSK3B (0.35) GSK3BADKTSHR
SCHEMBL6887042 0.91 GSK3B (0.42) HDAC1GSK3BADKTSHR
SCHEMBL6880579 0.90 TK2 (0.37) GSK3BADKTSHR
SCHEMBL6886433 0.89 GSK3B (0.37) GSK3BADK
SCHEMBL6886373 0.86 GSK3B (0.36) GSK3BADKTSHR
SCHEMBL6886842 0.82 HDAC1 (0.35) HDAC1GSK3B
SCHEMBL6888305 0.82 GSK3B (0.38) GSK3BADKTSHR
SCHEMBL6882003 0.82 GSK3B (0.38) GSK3BADKTSHR
SCHEMBL6886915 0.81 GSK3B (0.43) GSK3BADKTSHR

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