SCHEMBL29808233

SCHEMBL29808233

CC(C)[C@H](N)C(=O)Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.68
PIK3CG P48736 17/20 0.68
PIK3CA P42336 13/20 0.68
PIK3CB P42338 13/20 0.68
PIK3C2B O00750 2/20 0.59
PI4KA P42356 2/20 0.59
PIK3C3 Q8NEB9 2/20 0.59
PI4KB Q9UBF8 2/20 0.59
PIK3C2A O00443 1/20 0.59

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
SCHEMBL22246918 1.00 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL28800832 1.00 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL28800828 0.87 PIK3CG (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL28800827 0.87 PIK3CG (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL3661058 0.85 PIK3CG (0.78) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL28946367 0.82 PIK3CG (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL22246654 0.82 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL29808026 0.82 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL28946368 0.82 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL22230629 0.80 PIK3CG (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA

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-109721531-B Novel liposome kinase inhibitor 中国科学院合肥物质科学研究院 2022-07-29 CN disclosed