SCHEMBL88207

SCHEMBL88207

Cn1c(N2CCC(c3nncn3-c3ccccc3)CC2)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.51
CYP2D6 P10635 6/20 0.51
CYP1A2 P05177 5/20 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
SCHEMBL8342324 0.86 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL13712750 0.84 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL87861 0.80 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL88129 0.79 GSK3B (0.55) GSK3BCYP2D6CYP1A2
SCHEMBL87939 0.79 GSK3B (0.72) GSK3BCYP2D6CYP1A2
SCHEMBL8232950 0.78 GSK3B (0.57) GSK3BCYP2D6CYP1A2
SCHEMBL87775 0.78 GSK3B (0.60) GSK3BCYP2D6CYP1A2
SCHEMBL88128 0.77 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL8268075 0.77 GSK3B (0.63) GSK3BCYP2D6CYP1A2
SCHEMBL87922 0.77 GSK3B (0.56) GSK3BCYP2D6CYP1A2

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-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 WO disclosed