SCHEMBL5543587

SCHEMBL5543587

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.39
GSK3A P49840 9/20 0.39
GAA P10253 1/20 0.37
ADORA1 P30542 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5549013 0.85 ALPL (0.41) GSK3BGSK3AADORA1
SCHEMBL3528837 0.82 GSK3B (0.47) GSK3BGSK3AADORA1
SCHEMBL5548595 0.82 GSK3B (0.48) GSK3BGSK3AALDH1A1
SCHEMBL5550039 0.82 GSK3A (0.46) GSK3BGSK3AADORA1
SCHEMBL5549315 0.82 DCTPP1 (0.47) ALDH1A1
SCHEMBL5549249 0.81 CA1 (0.46) GAA
SCHEMBL5545002 0.81 GSK3A (0.51) GSK3BGSK3AADORA1
SCHEMBL5543493 0.81 GSK3B (0.50) GSK3BGSK3AADORA1
SCHEMBL5545469 0.81 ADORA1 (0.41) GSK3BGSK3AADORA1ALDH1A1
SCHEMBL3523080 0.79 GSK3A (0.50) GSK3BGSK3AGAAADORA1ALDH1A1

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