SCHEMBL13910316

SCHEMBL13910316

Cn1c(NCC(=O)c2cccc(C#N)c2)nc(-c2ccncc2)cc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 1.00
▸ 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
SCHEMBL14063470 0.89 GSK3B (0.80) GSK3B
SCHEMBL13722013 0.88 GSK3B (0.78) GSK3BGRM5
SCHEMBL13910845 0.87 GSK3B (0.83) GSK3B
SCHEMBL4034257 0.86 GSK3B (1.00) GSK3B
SCHEMBL4028435 0.86 GSK3B (1.00) GSK3B
SCHEMBL13910418 0.85 GSK3B (0.77) GSK3B
SCHEMBL13910440 0.85 GSK3B (0.86) GSK3B
SCHEMBL4029186 0.85 GSK3B (1.00) GSK3B
SCHEMBL14063465 0.85 GSK3B (0.80) GSK3B
SCHEMBL4025237 0.85 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
Send feedback