SCHEMBL5548595

SCHEMBL5548595

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCCOc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.48
GSK3A P49840 14/20 0.48
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL5543642 0.92 GSK3B (0.46) GSK3BGSK3A
SCHEMBL5550177 0.89 GSK3B (0.50) GSK3BGSK3ALMNASMN1; SMN2
SCHEMBL3527708 0.87 GSK3A (0.57) GSK3BGSK3AKDM4EALDH1A1LMNA
SCHEMBL3529920 0.86 GSK3A (0.61) GSK3BGSK3AKDM4EALDH1A1LMNA
SCHEMBL5549831 0.85 GSK3A (0.50) GSK3BGSK3ALMNASMN1; SMN2
SCHEMBL5548893 0.85 GSK3A (0.49) GSK3BGSK3ALMNASMN1; SMN2
SCHEMBL3525341 0.84 GSK3B (0.48) GSK3BGSK3ALMNASMN1; SMN2
SCHEMBL5548604 0.84 GSK3A (0.48) GSK3BGSK3ALMNASMN1; SMN2
SCHEMBL3530232 0.83 GSK3A (0.46) GSK3BGSK3ASMN1; SMN2GRIN1GRIN2B
SCHEMBL5550212 0.83 GSK3A (0.44) GSK3BGSK3AKDM4EALDH1A1LMNA

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