SCHEMBL4347409

SCHEMBL4347409

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N)c2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.58
MAPT P10636 6/20 0.56
POLB P06746 1/20 0.56
PIK3CG P48736 3/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
PIK3C2B O00750 1/20 0.53
PIK3C2G O75747 1/20 0.53
TP53 P04637 1/20 0.52
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TNF P01375 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL188910 0.87 PIK3CD (0.76) PIK3CDMAPTPOLBPIK3CGPIK3CA
SCHEMBL188712 0.85 PIK3CD (0.74) PIK3CDMAPTPIK3CGPIK3CAPIK3CB
SCHEMBL188337 0.84 MEN1 (0.66) PIK3CDMAPTPOLBPIK3CGPIK3CA
SCHEMBL188870 0.83 PIK3CD (0.68) PIK3CDMAPTPIK3CGPIK3CAPIK3CB
SCHEMBL189291 0.82 PIK3CD (0.62) PIK3CDMAPTPOLBPIK3CGPIK3CA
SCHEMBL188662 0.82 PIK3CG (0.71) PIK3CDMAPTPOLBPIK3CGPIK3CA
SCHEMBL12373069 0.81 PIK3CD (0.66) PIK3CDMAPTPIK3CGPIK3CAPIK3CB
SCHEMBL189862 0.81 MAPT (0.69) PIK3CDMAPTPOLBPIK3CGPIK3CA
Hydrochloric Acid SCHEMBL14861065 0.81 PIK3CG (0.70) PIK3CDMAPTPOLBPIK3CGPIK3CA
SCHEMBL189007 0.80 PIK3CG (0.74) PIK3CDMAPTPIK3CGPIK3CAPIK3CB

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