SCHEMBL5820170

SCHEMBL5820170

CC(C)(C)c1ccc(-n2nnc3cnc(NC4CCC(O)CC4)nc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.75
▸ GSK3B P49841 4/20 0.75
▸ MAPK6 Q16659 10/20 0.60
▸ MAPK8 P45983 5/20 0.46
▸ MAPK9 P45984 5/20 0.46
▸ MAPK10 P53779 4/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MAPK14 Q16539 2/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ AURKA O14965 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
SCHEMBL5820508 0.90 GSK3A (0.75) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5819986 0.89 GSK3A (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16011891 0.87 GSK3A (0.65) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16011893 0.87 GSK3A (0.65) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16011892 0.87 GSK3A (0.65) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820264 0.86 GSK3A (0.80) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820487 0.86 GSK3A (1.00) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012808 0.85 MAPK6 (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012652 0.85 MAPK6 (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5818337 0.85 MAPK6 (0.81) 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
Send feedback