SCHEMBL29198019

SCHEMBL29198019

O=C1C=CC2=C(C1)OC(F)(F)O2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL25281993 0.64 GSK3A (0.43) GSK3AGSK3B
SCHEMBL3189504 0.64 GSK3A (0.43) GSK3AGSK3B
SCHEMBL277815 0.60
SCHEMBL14994538 0.60
SCHEMBL14335006 0.59 PIK3CA (0.30)
SCHEMBL366153 0.56 GSK3A (0.71) GSK3AGSK3B
SCHEMBL11869157 0.54 CA1 (0.44) GSK3AGSK3B
SCHEMBL9003726 0.54 CA1 (0.44) GSK3AGSK3B
SCHEMBL9899911 0.54 GSK3A (0.42) GSK3AGSK3B
SCHEMBL28494309 0.53 GSK3A (0.40) 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-117777153-A 20 (S) -10, 11-difluoro methylenedioxy camptothecine derivative and preparation method and application thereof 浙江工业大学 2024-03-29 CN disclosed