SCHEMBL5543665

SCHEMBL5543665

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCCCCC(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3A P49840 14/20 0.36
GSK3B P49841 14/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL5550117 0.99 GAA (0.39) GAAALDH1A1MEN1GFERKMT2A
SCHEMBL5545504 0.97 GAA (0.43) GAAGSK3AGSK3BCDC25ACDC25B
SCHEMBL5550132 0.82 ILK (0.35) ALDH1A1MEN1KMT2AHSD17B10GSK3A
SCHEMBL3521844 0.82 MAT2A (0.38) ALDH1A1GFERHSD17B10GSK3AGSK3B
SCHEMBL5545643 0.79 GSK3B (0.34) GSK3AGSK3B
SCHEMBL5548899 0.77 GSK3B (0.32) GSK3AGSK3B
SCHEMBL5543493 0.75 GSK3B (0.50) SMN1; SMN2GSK3AGSK3B
SCHEMBL5550070 0.73 GSK3A (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3529299 0.72 GSK3B (0.41) GSK3AGSK3B
SCHEMBL5550039 0.72 GSK3A (0.46) MEN1KMT2AGSK3AGSK3BLMNA

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
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed