SCHEMBL5550177

SCHEMBL5550177

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCCOc2ccc(Cl)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.50
GSK3A P49840 15/20 0.50
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL3527708 0.92 GSK3A (0.57) GSK3BGSK3ARAB9ALMNAHTT
SCHEMBL3529920 0.91 GSK3A (0.61) GSK3BGSK3ARAB9ANPC1LMNA
SCHEMBL5550070 0.90 GSK3A (0.50) GSK3BGSK3ARAB9ALMNAHTT
SCHEMBL5549831 0.90 GSK3A (0.50) GSK3BGSK3ARAB9ALMNAHTT
SCHEMBL5548893 0.90 GSK3A (0.49) GSK3BGSK3ARAB9ANPC1LMNA
SCHEMBL5548595 0.89 GSK3B (0.48) GSK3BGSK3ALMNASMN1; SMN2
SCHEMBL3525341 0.89 GSK3B (0.48) GSK3BGSK3ARAB9ALMNAHTT
SCHEMBL5543642 0.87 GSK3B (0.46) GSK3BGSK3A
SCHEMBL5548604 0.86 GSK3A (0.48) GSK3BGSK3ARAB9ALMNAHTT
SCHEMBL5549418 0.86 GSK3B (0.42) GSK3BGSK3AHTT

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