SCHEMBL13910464

SCHEMBL13910464

CC(C)Oc1ccc(C(=O)CNc2nc(-c3ccncc3)cc(=O)n2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.73
▸ MCL1 Q07820 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL13910432 0.90 GSK3B (0.74) GSK3B
SCHEMBL13910314 0.89 GSK3B (0.77) GSK3B
SCHEMBL13721865 0.88 GSK3B (0.56) GSK3B
SCHEMBL13910485 0.88 GSK3B (0.85) GSK3B
SCHEMBL13910329 0.88 GSK3B (0.89) GSK3B
SCHEMBL13910315 0.86 GSK3B (0.82) GSK3B
SCHEMBL13910835 0.86 GSK3B (0.82) GSK3B
SCHEMBL4028335 0.85 GSK3B (1.00) GSK3B
SCHEMBL13910833 0.85 GSK3B (0.80) GSK3B
SCHEMBL14063466 0.85 GSK3B (0.80) 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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