SCHEMBL4454726

SCHEMBL4454726

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(C(=O)C3CC3)C(=O)C3CNC3)c2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.55
PIK3CG P48736 8/20 0.54
PIK3CA P42336 4/20 0.54
PIK3CB P42338 3/20 0.54
PRKDC P78527 2/20 0.48
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
PIK3C2B O00750 1/20 0.44
PIK3C2G O75747 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TNF P01375 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3691116 0.94 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4540221 0.93 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL3689501 0.90 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL3803465 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4343994 0.88 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4565351 0.88 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4338556 0.87 PIK3CG (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4346339 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL4459854 0.86 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPRKDC
SCHEMBL3807113 0.83 PIK3CD (0.51) 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