SCHEMBL13910356

SCHEMBL13910356

Cn1c(NCC(=O)c2ccc(OCC3CC3)cc2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.68
▸ KDM5A P29375 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 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
SCHEMBL14063487 0.90 GSK3B (0.69) GSK3BKDM5AKDM4C
SCHEMBL13722008 0.89 GSK3B (0.54) GSK3B
SCHEMBL13910314 0.86 GSK3B (0.77) GSK3B
SCHEMBL13910327 0.85 GSK3B (0.68) GSK3B
SCHEMBL13910485 0.84 GSK3B (0.85) GSK3B
SCHEMBL13910329 0.84 GSK3B (0.89) GSK3B
SCHEMBL13910435 0.84 GSK3B (0.67) GSK3B
SCHEMBL13910464 0.83 GSK3B (0.73) GSK3B
SCHEMBL14063470 0.83 GSK3B (0.80) GSK3B
SCHEMBL13910315 0.82 GSK3B (0.82) 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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