SCHEMBL13721647

SCHEMBL13721647

Cn1c(NCC(=O)c2ccc(N3CCCC3)cc2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.56
▸ CYP2D6 P10635 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL13721883 0.90 GSK3B (0.57) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL13910470 0.88 GSK3B (0.73) GSK3B
SCHEMBL13721828 0.87 GSK3B (0.55) GSK3BCYP2D6
SCHEMBL13722148 0.87 GSK3B (0.68) GSK3B
SCHEMBL13722326 0.86 GSK3B (0.54) GSK3BCYP2D6
SCHEMBL13722185 0.86 GSK3B (0.62) GSK3BCYP2D6CYP3A4
SCHEMBL4028511 0.85 GSK3B (0.76) GSK3BCYP2D6CYP1A2
SCHEMBL13722172 0.85 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL13721987 0.85 GSK3B (0.61) GSK3B
SCHEMBL13721909 0.85 GSK3B (0.70) GSK3B

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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