SCHEMBL24929792

SCHEMBL24929792

Fc1cnc2[nH]nc(-c3ncc(F)c(N[C@@H]4CC5CCC4CC5)n3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 14/20 0.45
GSK3B P49841 14/20 0.45
FLT3 P36888 12/20 0.44
PIK3CG P48736 12/20 0.44
PIK3CA P42336 6/20 0.44
JAK2 O60674 8/20 0.44
PLK1 P53350 7/20 0.44
PIK3CD O00329 7/20 0.44
SRC P12931 6/20 0.44
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 5/20 0.44
PRKACA P17612 5/20 0.44
KDR P35968 4/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
CDK2 P24941 1/20 0.44
PIK3CB P42338 3/20 0.42
SYK P43405 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
SCHEMBL24928785 0.82 GSK3A (0.66) GSK3AGSK3BFLT3PIK3CGPIK3CA
SCHEMBL22149395 0.82 GSK3A (0.66) GSK3AGSK3BFLT3PIK3CGPIK3CA
SCHEMBL20373992 0.82 GABBR2 (0.36) GSK3AGSK3BFLT3PIK3CGPIK3CA
SCHEMBL16199093 0.79 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199091 0.79 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9977697 0.79 GSK3A (0.53) GSK3AGSK3BFLT3PIK3CGPIK3CA
SCHEMBL9977673 0.79 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199081 0.79 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9940696 0.79 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL16199033 0.79 GSK3A (0.72) GSK3AGSK3BFLT3JAK2SRC

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-2023009754-A2 PROTEIN-ANTIVIRAL COMPOUND CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-02-02 WO disclosed