SCHEMBL5823050

SCHEMBL5823050

CC(=O)N1CCCC(Nc2ncc3nnn(-c4ccc(C(C)(C)C)cc4)c3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.51
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ MAPK3 P27361 4/20 0.47
▸ JAK3 P52333 5/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ BTK Q06187 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
SCHEMBL5820034 0.95 MAPK6 (0.53) MAPK6GSK3AGSK3BMAPK3JAK3
SCHEMBL16012387 0.88 MAPK6 (0.67) MAPK6GSK3AGSK3BMAPK3
SCHEMBL5820185 0.85 MAPK6 (0.54) MAPK6GSK3AGSK3BBTK
SCHEMBL5816043 0.84 MAPK6 (0.54) MAPK6GSK3AGSK3BMAPK3
SCHEMBL5818259 0.84 MAPK6 (0.57) MAPK6GSK3AGSK3B
SCHEMBL5814193 0.83 MAPK6 (0.51) MAPK6GSK3AGSK3BBTK
SCHEMBL5818405 0.82 MAPK6 (0.49) MAPK6GSK3AGSK3B
SCHEMBL5818509 0.81 MAPK6 (0.63) MAPK6GSK3AGSK3BMAPK3
SCHEMBL5816705 0.81 MAPK6 (0.51) MAPK6GSK3AGSK3B
SCHEMBL5820031 0.81 MAPK6 (0.47) MAPK6GSK3AGSK3B

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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