SCHEMBL14063487

SCHEMBL14063487

Cn1c(NCC(=O)c2cccc(OCC3CC3)c2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.69
▸ BACE1 P56817 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ KDM5A P29375 1/20 0.40
▸ KDM4C Q9H3R0 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
SCHEMBL13910356 0.90 GSK3B (0.68) GSK3BKDM5AKDM4C
SCHEMBL13722076 0.90 GSK3B (0.56) GSK3BNR1H4
SCHEMBL13910418 0.86 GSK3B (0.77) GSK3B
SCHEMBL13910437 0.86 GSK3B (0.68) GSK3B
SCHEMBL13910432 0.85 GSK3B (0.74) GSK3B
SCHEMBL13910435 0.83 GSK3B (0.67) GSK3B
SCHEMBL13910845 0.82 GSK3B (0.83) GSK3B
SCHEMBL13910316 0.82 GSK3B (1.00) GSK3B
SCHEMBL14063480 0.82 GSK3B (0.69) GSK3B
SCHEMBL4034257 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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