SCHEMBL83143

SCHEMBL83143

Cc1nc(-c2ccc(C3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)no1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.76
CYP2D6 P10635 12/20 0.76
CYP1A2 P05177 8/20 0.76
CSNK1A1 P48729 1/20 0.56
GSK3A P49840 1/20 0.56

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
SCHEMBL83142 1.00 GSK3B (0.76) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2115218 0.95 GSK3B (0.69) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2114762 0.95 GSK3B (0.69) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2114764 0.95 GSK3B (0.69) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL538080 0.93 GSK3B (0.65) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL12330430 0.92 GSK3B (0.64) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2118012 0.88 GSK3B (0.58) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL83125 0.88 GSK3B (0.76) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL83126 0.88 GSK3B (0.76) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL12003453 0.88 GSK3B (0.58) 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 2 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 claimed
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed