SCHEMBL84382

SCHEMBL84382

Cc1cccnc1Nc1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.72
CYP2D6 P10635 13/20 0.72
CYP1A2 P05177 9/20 0.72
CSNK1A1 P48729 1/20 0.55
GSK3A P49840 1/20 0.55

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
SCHEMBL88520 0.89 GSK3B (0.77) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87964 0.88 GSK3B (0.82) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87945 0.88 GSK3B (0.74) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88157 0.86 GSK3B (0.84) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL1136421 0.85 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL81762 0.84 GSK3B (0.86) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL5535173 0.84 GSK3B (0.86) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87952 0.84 GSK3B (0.86) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88036 0.84 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88148 0.84 GSK3B (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US claimed