SCHEMBL13019397

SCHEMBL13019397

Nn1c(N2CCO[C@@H](c3ccc(NC(=O)CN4CCCC4)cc3)C2)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.59
CYP2D6 P10635 10/20 0.59
CYP1A2 P05177 7/20 0.59
CSNK1A1 P48729 1/20 0.43
GSK3A P49840 1/20 0.43
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL88072 0.92 GSK3B (0.71) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88070 0.91 GSK3B (0.70) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88048 0.87 GSK3B (0.70) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88051 0.87 GSK3B (0.70) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87926 0.84 GSK3B (0.65) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL83089 0.84 GSK3B (0.74) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL83766 0.81 GSK3B (0.72) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88515 0.81 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL1136421 0.81 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL12330413 0.80 GSK3B (0.67) 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
EP-2266969-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 EP disclosed