SCHEMBL28740591

SCHEMBL28740591

COc1cccc(CCNc2nc(-c3ccncc3)cc(=O)n2CCCN)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.56
▸ BACE1 P56817 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PTGDR Q13258 2/20 0.43
▸ PCSK9 Q8NBP7 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ CYP2D6 P10635 1/20 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
SCHEMBL2403904 0.87 GSK3B (0.75) GSK3BBACE1CYP2D6
SCHEMBL5098175 0.84 GSK3B (0.70) GSK3BHTT
SCHEMBL5561339 0.84 GSK3B (0.64) GSK3B
SCHEMBL5104968 0.83 GSK3B (0.69) GSK3BHTT
SCHEMBL5098141 0.83 GSK3B (0.69) GSK3BHTT
SCHEMBL5105218 0.83 GSK3B (0.52) GSK3BLMNA
SCHEMBL5038561 0.81 GSK3B (0.62) GSK3B
SCHEMBL2403941 0.81 GSK3B (0.62) GSK3B
SCHEMBL2401436 0.80 GSK3B (0.61) GSK3B
SCHEMBL5096032 0.80 GSK3B (0.61) GSK3B

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
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 — — CN claimed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 — — CN disclosed
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