SCHEMBL13722013

SCHEMBL13722013

Cn1c(NCC(=O)c2cccc(C#N)c2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.78
▸ CYP2D6 P10635 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL13722022 0.90 GSK3B (0.62) GSK3BCYP2D6CYP1A2
SCHEMBL13910316 0.88 GSK3B (1.00) GSK3BGRM5
SCHEMBL4029898 0.87 GSK3B (0.77) GSK3BCYP2D6CYP1A2
SCHEMBL4031690 0.86 GSK3B (0.75) GSK3BCYP2D6CYP1A2
SCHEMBL13721715 0.86 GSK3B (0.59) GSK3BCYP2D6CYP1A2
SCHEMBL4026310 0.86 GSK3B (0.77) GSK3BCYP2D6CYP1A2
SCHEMBL13722178 0.86 GSK3B (0.61) GSK3B
SCHEMBL4024539 0.86 GSK3B (0.77) GSK3BCYP2D6CYP1A2
SCHEMBL13721667 0.85 GSK3B (0.67) GSK3BCYP2D6CYP1A2
SCHEMBL13722392 0.85 GSK3B (0.68) 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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