SCHEMBL13721869

SCHEMBL13721869

CN(C)c1ccccc1C(=O)CNc1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.58
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL13721993 0.87 GSK3B (0.61) GSK3B
SCHEMBL13910431 0.87 GSK3B (0.75) GSK3B
SCHEMBL13722147 0.87 GSK3B (0.60) GSK3B
SCHEMBL13721754 0.87 GSK3B (0.77) GSK3B
SCHEMBL13721420 0.87 GSK3B (0.60) GSK3B
SCHEMBL13721913 0.86 GSK3B (0.61) GSK3B
SCHEMBL13722387 0.86 GSK3B (0.67) GSK3B
SCHEMBL13722522 0.86 GSK3B (0.59) GSK3BCYP3A4
SCHEMBL13722191 0.85 GSK3B (0.58) GSK3B
SCHEMBL4031690 0.84 GSK3B (0.75) 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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