SCHEMBL6885786

SCHEMBL6885786

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
ADK P55263 1/20 0.34
TSHR P16473 1/20 0.34
GRK6 P43250 2/20 0.33
CA1 P00915 6/20 0.31
CA2 P00918 6/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE5A O76074 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
SCHEMBL6887317 0.89 GSK3B (0.49) GSK3BADKTSHRGRK6CA1
SCHEMBL5697584 0.89 GSK3B (0.49) GSK3BADKTSHRGRK6CA1
SCHEMBL5953292 0.89 GSK3B (0.49) GSK3BADKTSHRGRK6CA1
SCHEMBL6887561 0.87 GSK3B (0.39) GSK3BADKTSHRGRK6CA1
SCHEMBL6888305 0.87 GSK3B (0.38) GSK3BADKTSHRCA1CA2
SCHEMBL6882003 0.87 GSK3B (0.38) GSK3BADKTSHRCA1CA2
SCHEMBL6888278 0.86 GSK3B (0.38) GSK3BADKTSHRCA1CA2
SCHEMBL6884997 0.84 GSK3B (0.37) GSK3BADKTSHRPDE5A
SCHEMBL6886373 0.83 GSK3B (0.36) GSK3BADKTSHR
SCHEMBL6880579 0.82 TK2 (0.37) 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