SCHEMBL5548609

SCHEMBL5548609

CC(CN1CCOCC1)Nc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LPAR2 Q9HBW0 2/20 0.30

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
SCHEMBL5549410 0.82 TLR9 (0.43) MAPK1GSK3AGSK3BMEN1KMT2A
SCHEMBL3522851 0.81 CXCR2 (0.35)
SCHEMBL3526664 0.80 GAA (0.45) MAPK1GSK3AGSK3BMEN1KMT2A
SCHEMBL5548540 0.79 PDE5A (0.32) GSK3AGSK3B
SCHEMBL5549388 0.78 IRAK4 (0.33)
SCHEMBL5543751 0.78 LMNA (0.39) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL5549385 0.73 MAPT (0.42)
SCHEMBL5548896 0.73 GRK6 (0.34)
SCHEMBL5550127 0.72 CYP3A4 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5548899 0.72 GSK3B (0.32) GSK3AGSK3B

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