SCHEMBL5806576

SCHEMBL5806576

NC1CCC(Nc2ncc3nnn(-c4ccccc4)c3n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 6/20 0.79
▸ GSK3B P49841 6/20 0.79
▸ MAPK6 Q16659 10/20 0.75
▸ MAPK8 P45983 3/20 0.55
▸ MAPK9 P45984 3/20 0.55
▸ MAPK10 P53779 3/20 0.55
▸ CCNE1 P24864 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ AURKA O14965 4/20 0.55
▸ MAPK14 Q16539 2/20 0.49
▸ MERTK Q12866 1/20 0.48

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
SCHEMBL16012898 0.89 MAPK6 (0.76) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012467 0.89 MAPK6 (0.76) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012466 0.89 MAPK6 (0.76) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16022211 0.89 MAPK6 (0.76) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820487 0.88 GSK3A (1.00) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820761 0.86 GSK3A (0.76) GSK3AGSK3BMAPK6AURKAMAPK14
SCHEMBL5806572 0.86 MAPK6 (0.77) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012025 0.86 MAPK6 (1.00) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL18830345 0.86 MAPK6 (1.00) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16011970 0.86 MAPK6 (1.00) GSK3AGSK3BMAPK6MAPK8MAPK9

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
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