SCHEMBL13722652

SCHEMBL13722652

Cn1c(N2CCO[C@H](c3cccc(F)c3)C2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.82
CYP2D6 P10635 14/20 0.82
CYP1A2 P05177 10/20 0.82
CSNK1A1 P48729 1/20 0.82
GSK3A P49840 1/20 0.82

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
SCHEMBL13722414 1.00 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722058 1.00 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2115946 0.92 GSK3B (0.69) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722813 0.92 GSK3B (0.86) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722134 0.90 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027371 0.90 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722732 0.90 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722001 0.90 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4026798 0.90 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4024776 0.90 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 US disclosed