SCHEMBL3579248

SCHEMBL3579248

CC1NCn2c(nc(-c3ccncn3)cc2=O)C1CC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.46
CYP2D6 P10635 2/20 0.41

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
SCHEMBL3567777 0.90 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL3565173 0.89 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3567458 0.84 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL3577559 0.83 GSK3B (0.35) GSK3BCYP2D6
SCHEMBL3576890 0.82 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL3576893 0.82 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL3564721 0.80 GSK3B (0.40) GSK3BCYP2D6
SCHEMBL3575296 0.80 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL3575298 0.80 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL3569153 0.79 GSK3B (0.41) GSK3BCYP2D6

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-7781440-B2 Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2010-08-24 US claimed