SCHEMBL5815549

SCHEMBL5815549

CC1C(=O)Nc2cnc(Nc3ccc(C(=O)O)cc3)nc2N1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.64
GSK3A P49840 9/20 0.64
AURKA O14965 7/20 0.48
MARK3 P27448 1/20 0.43
TNK2 Q07912 2/20 0.43
RPS6KA3 P51812 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL1204311 0.86 GSK3B (0.71) GSK3BGSK3AAURKAMARK3TNK2
SCHEMBL5805486 0.78 GSK3B (1.00) GSK3BGSK3AAURKAMARK3TNK2
SCHEMBL14940925 0.75 MAPT (0.39) GSK3BGSK3ARPS6KA3
SCHEMBL1203985 0.73 GSK3A (0.53) GSK3BGSK3ATNK2
SCHEMBL1202703 0.71 GSK3B (0.58) GSK3BGSK3AAURKAMARK3
SCHEMBL1203963 0.71 GSK3B (0.57) GSK3BGSK3AAURKAMARK3
SCHEMBL17780574 0.69 RPS6KA3 (0.64) GSK3BGSK3AAURKARPS6KA3
SCHEMBL5803329 0.68 GSK3B (0.64) GSK3BGSK3AAURKAAURKB
SCHEMBL15498579 0.68 GSK3B (0.59) GSK3BGSK3AAURKAMARK3
SCHEMBL5804759 0.68 GSK3B (1.00) GSK3BGSK3AAURKAAURKB

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
WO-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 WO disclosed