SCHEMBL13721839

SCHEMBL13721839

Cn1c(NCC(=O)c2cccc(CN3CCCCC3)c2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.54
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL13721832 0.99 GSK3B (0.55) GSK3BCYP2D6CYP2C9HIF1A
SCHEMBL13722326 0.91 GSK3B (0.54) GSK3BCYP2D6
SCHEMBL13721828 0.90 GSK3B (0.55) GSK3BCYP2D6
SCHEMBL13910436 0.89 GSK3B (0.69) GSK3BCYP2D6CYP2C9HIF1A
SCHEMBL13910846 0.88 GSK3B (0.70) GSK3BCYP2D6CYP2C9HIF1A
SCHEMBL13721883 0.85 GSK3B (0.57) GSK3BCYP2D6
SCHEMBL4029898 0.83 GSK3B (0.77) GSK3BCYP2D6
SCHEMBL4031690 0.83 GSK3B (0.75) GSK3BCYP2D6
SCHEMBL13721556 0.82 GSK3B (0.52) GSK3BCYP2D6
SCHEMBL13722178 0.82 GSK3B (0.61) 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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