SCHEMBL8342403

SCHEMBL8342403

CN(c1ccc(C2CCCN(c3nc(-c4ccncn4)cc(=O)n3C)C2)cc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.53
▸ CYP2D6 P10635 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CSNK1A1 P48729 1/20 0.51
▸ GSK3A P49840 1/20 0.51

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
SCHEMBL13917303 0.90 GSK3B (0.58) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL8340473 0.89 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL8342496 0.86 GSK3B (0.72) GSK3B
SCHEMBL8342937 0.86 GSK3B (0.59) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13917301 0.85 GSK3B (0.69) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13917305 0.85 GSK3B (0.53) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88517 0.84 GSK3B (0.55) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13917308 0.84 GSK3B (0.54) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL8342890 0.82 GSK3B (0.68) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13917304 0.82 GSK3B (0.60) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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
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