SCHEMBL4344893

SCHEMBL4344893

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CNc3cccc(F)c3)c2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.53
PIK3CD O00329 4/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
HCRTR1 O43613 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL188877 0.88 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4484711 0.85 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4338570 0.83 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188932 0.82 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4344214 0.81 MEN1 (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188985 0.81 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189464 0.80 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416395 0.80 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189051 0.79 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189342 0.79 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed