SCHEMBL28911786

SCHEMBL28911786

CC(Nc1nccc(C(=O)Nc2cnccc2OC(F)C(F)F)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.52
GSK3B P49841 19/20 0.52
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL28911723 0.91 GSK3B (0.50) GSK3AGSK3B
SCHEMBL28911739 0.89 GSK3B (0.46) GSK3AGSK3B
SCHEMBL28911764 0.88 GSK3B (0.49) GSK3AGSK3B
SCHEMBL28911767 0.86 GSK3A (0.69) GSK3AGSK3B
SCHEMBL28911699 0.86 GSK3A (0.51) GSK3AGSK3B
SCHEMBL28911697 0.85 GSK3B (0.49) GSK3AGSK3B
SCHEMBL20205046 0.85 GSK3B (0.74) GSK3AGSK3B
SCHEMBL28911746 0.85 GSK3A (0.52) GSK3AGSK3B
SCHEMBL28911783 0.83 GSK3A (0.56) GSK3AGSK3B
SCHEMBL28911741 0.82 GSK3B (0.52) GSK3AGSK3B

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