SCHEMBL8340401

SCHEMBL8340401

COc1ccc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5)cc(=O)n4C)CCN3)cc2)cc1OC

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.88
CYP2D6 P10635 4/20 0.79

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
SCHEMBL1673526 0.94 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL8338210 0.90 GSK3B (0.96) GSK3BCYP2D6
SCHEMBL1651787 0.90 GSK3B (0.96) GSK3BCYP2D6
SCHEMBL13917166 0.90 GSK3B (0.87) GSK3BCYP2D6
SCHEMBL1673710 0.89 GSK3B (0.78) GSK3BCYP2D6
SCHEMBL1654228 0.88 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL27629116 0.88 GSK3B (0.84) GSK3BCYP2D6
SCHEMBL88165 0.88 GSK3B (0.69) GSK3BCYP2D6
Hydrochloric Acid SCHEMBL1673518 0.87 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL13914959 0.87 GSK3B (0.84) GSK3BCYP2D6

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
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed