SCHEMBL171629

SCHEMBL171629

C=C(Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(F)c2)s1)Nc1ccccc1C(=O)NC(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.60
PIK3CG P48736 13/20 0.60
PIK3CA P42336 12/20 0.60
PIK3CB P42338 10/20 0.60
PI4KB Q9UBF8 6/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
XIAP P98170 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL799251 0.92 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48660 0.76 PIK3CG (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48835 0.75 PIK3CD (0.81) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL27658350 0.75 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1784923 0.75 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL12363422 0.74 PIK3CD (0.80) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL799253 0.74 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1785642 0.74 PIK3CG (0.63) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1784085 0.74 PIK3CG (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1784080 0.74 PIK3CG (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed