SCHEMBL13722254

SCHEMBL13722254

Cn1c(N2CCOC(c3ccc(N4CCCC4)cc3)C2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 20/20 0.80
▸ CYP2D6 P10635 13/20 0.80
▸ CYP1A2 P05177 9/20 0.80
▸ CSNK1A1 P48729 1/20 0.80
▸ GSK3A P49840 1/20 0.80

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
SCHEMBL497011 0.93 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL497265 0.92 GSK3B (0.71) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722726 0.91 GSK3B (0.86) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13723010 0.90 GSK3B (0.76) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL497444 0.90 GSK3B (0.71) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722127 0.90 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13721953 0.90 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4027349 0.90 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL497065 0.89 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13722266 0.89 GSK3B (0.83) 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
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