SCHEMBL13722367

SCHEMBL13722367

Cn1c(NCC(=O)c2ccccc2-c2ccccn2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.57
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.39

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
SCHEMBL13722387 0.91 GSK3B (0.67) GSK3B
SCHEMBL13721913 0.91 GSK3B (0.61) GSK3BCYP2D6
SCHEMBL13910517 0.89 GSK3B (0.72) GSK3B
SCHEMBL13721929 0.88 GSK3B (0.58) GSK3B
SCHEMBL13721993 0.87 GSK3B (0.61) GSK3B
SCHEMBL13721926 0.86 GSK3B (0.54) GSK3B
SCHEMBL13722118 0.86 GSK3B (0.56) GSK3BCYP2D6CYP1A2
SCHEMBL13721944 0.86 GSK3B (0.54) GSK3B
SCHEMBL13722093 0.86 GSK3B (0.56) GSK3BCYP2D6
SCHEMBL13721687 0.86 GSK3B (0.58) 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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