SCHEMBL3564702

SCHEMBL3564702

CC1(C)NCn2c(nc(-c3ccncn3)cc2=O)C1CC(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.42
CYP2D6 P10635 2/20 0.39

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
SCHEMBL3569777 1.00 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3564705 1.00 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3572036 0.95 GSK3B (0.39) GSK3BCYP2D6
SCHEMBL3572039 0.95 GSK3B (0.39) GSK3BCYP2D6
SCHEMBL3579567 0.92 GSK3B (0.41) GSK3BCYP2D6
SCHEMBL3570860 0.91 GSK3B (0.39) GSK3BCYP2D6
SCHEMBL3570861 0.91 GSK3B (0.39) GSK3BCYP2D6
SCHEMBL3565789 0.91 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3565788 0.91 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3578475 0.91 GSK3B (0.44) 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