SCHEMBL28911697

SCHEMBL28911697

CC(Nc1nccc(C(=O)Nc2cnccc2OC(F)C(F)F)n1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.49
GSK3A P49840 19/20 0.49
JAK2 O60674 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
TYK2 P29597 1/20 0.42
SYK P43405 1/20 0.42
CDK5 Q00535 1/20 0.42
PRKCQ Q04759 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPT P10636 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
SCHEMBL28911764 0.91 GSK3B (0.49) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911723 0.90 GSK3B (0.50) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911699 0.87 GSK3A (0.51) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911746 0.86 GSK3A (0.52) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911786 0.85 GSK3A (0.52) GSK3BGSK3A
SCHEMBL20205175 0.85 GSK3B (0.69) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911739 0.84 GSK3B (0.46) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911741 0.83 GSK3B (0.52) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911727 0.82 GSK3A (0.61) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL28911767 0.82 GSK3A (0.69) GSK3BGSK3AJAK2PIM1CDK2

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