SCHEMBL5820094

SCHEMBL5820094

O=C1CCC(Nc2ncc3nnn(-c4ccccc4)c3n2)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 8/20 0.74
▸ GSK3B P49841 8/20 0.74
▸ AURKA O14965 6/20 0.60
▸ MAPK6 Q16659 10/20 0.56
▸ CDK2 P24941 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41

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
SCHEMBL5806576 0.85 GSK3A (0.79) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL5820487 0.85 GSK3A (1.00) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL5820761 0.85 GSK3A (0.76) GSK3AGSK3BAURKAMAPK6
SCHEMBL5823133 0.84 GSK3A (0.77) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL5806572 0.83 MAPK6 (0.77) GSK3AGSK3BAURKAMAPK6MAPK8
SCHEMBL5820371 0.81 GSK3A (0.69) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL5815087 0.79 GSK3A (0.70) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL5816108 0.79 GSK3A (0.68) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL18830621 0.77 GSK3A (0.67) GSK3AGSK3BAURKAMAPK6CDK2
SCHEMBL18830445 0.77 GSK3A (0.64) GSK3AGSK3BAURKAMAPK6CDK2

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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