SCHEMBL13910461

SCHEMBL13910461

Cn1c(NCC(=O)c2cccc(-c3cccnc3)c2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.75
▸ BACE1 P56817 1/20 0.46
▸ KMO O15229 1/20 0.43
▸ EGFR P00533 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
SCHEMBL13910845 0.93 GSK3B (0.83) GSK3B
SCHEMBL14063491 0.91 GSK3B (0.76) GSK3BBACE1
SCHEMBL13910440 0.91 GSK3B (0.86) GSK3B
SCHEMBL13910326 0.91 GSK3B (0.82) GSK3B
SCHEMBL13722107 0.89 GSK3B (0.60) GSK3BBACE1KMOEGFR
SCHEMBL13910493 0.87 GSK3B (0.79) GSK3B
SCHEMBL13910070 0.87 GSK3B (0.73) GSK3BBACE1
SCHEMBL4034257 0.86 GSK3B (1.00) GSK3B
SCHEMBL13910454 0.86 GSK3B (0.72) GSK3B
SCHEMBL4028435 0.86 GSK3B (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 — — EP disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 — — US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 — — US disclosed
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