SCHEMBL5818509

SCHEMBL5818509

CC(C)(C)c1ccc(-n2nnc3cnc(NC4CCCC(C(N)=O)C4)nc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.63
▸ GSK3A P49840 4/20 0.50
▸ GSK3B P49841 4/20 0.50
▸ MAPK3 P27361 1/20 0.43
▸ AURKA O14965 3/20 0.39
▸ CD38 P28907 1/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37

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
SCHEMBL5820134 0.89 MAPK6 (0.53) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL16011964 0.88 MAPK6 (0.69) MAPK6GSK3AGSK3BAURKASYK
SCHEMBL5814193 0.88 MAPK6 (0.51) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL16014927 0.88 MAPK6 (0.82) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL16014924 0.88 MAPK6 (0.82) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL18830121 0.88 MAPK6 (0.82) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL17435258 0.88 MAPK6 (0.82) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL5818515 0.87 MAPK6 (0.67) MAPK6GSK3AGSK3BAURKASYK
SCHEMBL5820028 0.84 MAPK6 (0.53) MAPK6GSK3AGSK3BAURKAMAPK8
SCHEMBL16012192 0.83 MAPK6 (0.75) MAPK6GSK3AGSK3BAURKASYK

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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