SCHEMBL8342255

SCHEMBL8342255

C[C@@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)C[C@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.72
CYP2D6 P10635 2/20 0.57

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
SCHEMBL13914917 1.00 GSK3B (0.72) GSK3BCYP2D6
SCHEMBL8344072 1.00 GSK3B (0.72) GSK3BCYP2D6
SCHEMBL13914925 0.89 GSK3B (0.58) GSK3BCYP2D6
SCHEMBL13914938 0.89 GSK3B (0.58) GSK3BCYP2D6
SCHEMBL8338326 0.89 GSK3B (0.58) GSK3BCYP2D6
SCHEMBL13914933 0.89 GSK3B (0.58) GSK3BCYP2D6
SCHEMBL13914910 0.85 GSK3B (0.74) GSK3BCYP2D6
SCHEMBL1651051 0.84 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1673532 0.84 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1673564 0.84 GSK3B (1.00) 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