SCHEMBL10201443

SCHEMBL10201443

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2OC)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.64
PIK3CA P42336 3/20 0.64
PIK3CB P42338 2/20 0.64
PIK3CG P48736 2/20 0.64
ALPL P05186 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 4/20 0.57
MTOR P42345 1/20 0.57
PRKDC P78527 1/20 0.57
RPTOR Q8N122 1/20 0.57
MLST8 Q9BVC4 1/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TNF P01375 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL188722 0.91 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL190103 0.88 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL189280 0.88 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL189424 0.84 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL189089 0.84 PIK3CD (0.83) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL27963167 0.83 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL27757994 0.83 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL2301966 0.83 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL2301767 0.82 PIK3CG (0.69) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL188833 0.81 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2

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-2012006552-A1 COMBINATIONS OF KINASE INHIBITORS FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2012-01-12 WO disclosed