SCHEMBL28911754

SCHEMBL28911754

CC(C)(C)C1CCC(Nc2nccc(C(=O)Nc3cnccc3OC(F)C(F)F)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.45
GSK3A P49840 18/20 0.45
PIM1 P11309 2/20 0.39
JAK2 O60674 1/20 0.39
CDK2 P24941 1/20 0.39
TYK2 P29597 1/20 0.39
SYK P43405 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 1/20 0.39
AURKB Q96GD4 1/20 0.39
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPT P10636 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
SCHEMBL28911765 0.93 GSK3A (0.48) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911762 0.89 GSK3B (0.47) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911787 0.89 GSK3B (0.47) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911714 0.89 GSK3B (0.47) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911756 0.87 GSK3A (0.44) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911722 0.87 GSK3A (0.45) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL20204938 0.85 GSK3B (0.64) GSK3BGSK3AMAPT
SCHEMBL28911721 0.84 GSK3A (0.44) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911760 0.82 GSK3A (0.43) GSK3BGSK3APIM1JAK2CDK2
SCHEMBL28911746 0.82 GSK3A (0.52) GSK3BGSK3APIM1JAK2CDK2

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
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed