SCHEMBL13722706

SCHEMBL13722706

Cn1c(N2CCO[C@@H](c3ccccc3Br)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 10/20 0.82
CYP1A2 P05177 6/20 0.82
CSNK1A1 P48729 1/20 0.69
GSK3A P49840 1/20 0.69

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
SCHEMBL13722055 1.00 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4026600 1.00 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722661 0.90 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4028687 0.90 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027426 0.90 GSK3B (0.83) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4026204 0.90 GSK3B (0.83) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13721973 0.90 GSK3B (0.83) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4028695 0.90 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722252 0.89 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4024765 0.89 GSK3B (0.82) 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 2 patents. 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
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 US disclosed