SCHEMBL4469706

SCHEMBL4469706

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(C(=O)CCC3CCCC3)c3cccc(S(=O)(=O)Nc4nc5ccccc5nc4Nc4cc(OC)cc(OC)c4)c3)c2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.54
PIK3CG P48736 11/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 3/20 0.53
PRKDC P78527 2/20 0.47
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
PIK3C2B O00750 1/20 0.43
PIK3C2G O75747 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL188632 0.86 PIK3CG (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4338556 0.83 PIK3CG (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL27737274 0.82 PIK3CG (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4565351 0.80 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL1794337 0.80 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL189492 0.80 PIK3CG (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL189153 0.79 PIK3CG (0.69) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL189358 0.79 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL189728 0.78 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4636688 0.78 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed