SCHEMBL5818405

SCHEMBL5818405

CC(C)(C)c1ccc(-n2nnc3cnc(NC4CCN(C(=O)c5ccccn5)C4)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.49
▸ GSK3A P49840 3/20 0.49
▸ GSK3B P49841 3/20 0.49
▸ PLA2G1B P04054 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ EPHX2 P34913 1/20 0.42
▸ CCNA2 P20248 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CDK7 P50613 3/20 0.41
▸ CCNH P51946 3/20 0.41
▸ MNAT1 P51948 3/20 0.41
▸ CCNK O75909 2/20 0.41
▸ CDK12 Q9NYV4 2/20 0.41
▸ AURKA O14965 2/20 0.40
▸ KDM5A P29375 1/20 0.40

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
SCHEMBL5818259 0.88 MAPK6 (0.57) MAPK6GSK3AGSK3BCCNA2CDK2
SCHEMBL5820034 0.87 MAPK6 (0.53) MAPK6GSK3AGSK3BAURKA
SCHEMBL5816705 0.87 MAPK6 (0.51) MAPK6GSK3AGSK3BCCNA2CDK2
SCHEMBL5820031 0.85 MAPK6 (0.47) MAPK6GSK3AGSK3B
SCHEMBL5820185 0.84 MAPK6 (0.54) MAPK6GSK3AGSK3BCCNA2CDK2
SCHEMBL5816043 0.84 MAPK6 (0.54) MAPK6GSK3AGSK3BCCNA2CDK2
SCHEMBL5823050 0.82 MAPK6 (0.51) MAPK6GSK3AGSK3B
SCHEMBL5820170 0.76 GSK3A (0.75) MAPK6GSK3AGSK3BCDK2AURKA
SCHEMBL17435241 0.75 MAPK6 (0.64) MAPK6GSK3AGSK3B
SCHEMBL16012827 0.75 MAPK6 (0.64) 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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