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SCHEMBL3578451

SCHEMBL3578451

CC1(C)NCn2c(nc(-c3ccncn3)cc2=O)C1CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 0.41
▸ ALDH1A1 P00352 2/20 0.35
▸ AGTR1 P30556 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2D6 P10635 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3572719 0.91 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3565795 0.89 GSK3B (0.40) GSK3BCYP2D6
SCHEMBL3570867 0.88 GSK3B (0.39) GSK3BALDH1A1CYP2D6
SCHEMBL3575939 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3567458 0.88 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL3579597 0.86 GSK3B (0.43) GSK3BALDH1A1CYP2D6CYP1A2
SCHEMBL3564980 0.84 GSK3B (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL3579774 0.83 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3579777 0.83 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3568702 0.78 CYP3A4 (0.40) GSK3BCYP2D6CYP1A2KDM4E

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