SCHEMBL188804

SCHEMBL188804

COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)NCC3CCCN3C(C)I)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 16/20 0.52
PIK3CD O00329 3/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PRKDC P78527 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
RAB9A P51151 1/20 0.47

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
SCHEMBL189397 0.89 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189875 0.89 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188533 0.82 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188873 0.81 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188756 0.81 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14053338 0.81 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189112 0.80 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188736 0.80 PIK3CD (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189516 0.80 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189170 0.80 PIK3CG (0.63) 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-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP disclosed