SCHEMBL2074917

SCHEMBL2074917

CC(=O)NCC(C)NC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.71
PIK3CD O00329 18/20 0.71
PIK3CA P42336 14/20 0.71
PIK3CB P42338 12/20 0.71
PI4KB Q9UBF8 3/20 0.57
CLK1 P49759 1/20 0.57
CLK2 P49760 1/20 0.57
PIK3C3 Q8NEB9 4/20 0.44
PIK3C2A O00443 1/20 0.43
PIK3C2B O00750 1/20 0.43
PI4KA P42356 1/20 0.43
PRKDC P78527 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
SCHEMBL1784923 0.89 PIK3CD (0.70) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL27658350 0.89 PIK3CD (0.70) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL5803254 0.87 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL5785803 0.85 PIK3CG (0.70) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL27658380 0.84 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL48660 0.84 PIK3CG (1.00) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL48455 0.83 PIK3CD (0.75) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL27658384 0.83 PIK3CD (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL1784080 0.83 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL1784085 0.83 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB

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
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed