SCHEMBL4346342

SCHEMBL4346342

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CNC(=O)C3CCNCC3)c2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.55
PIK3CG P48736 6/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 2/20 0.54
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTOR P42345 1/20 0.48
PRKDC P78527 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
PKM P14618 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.45
PIK3C2B O00750 1/20 0.44
PIK3C2G O75747 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
SCHEMBL4342095 0.95 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL3143741 0.94 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL3803471 0.86 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL2280427 0.82 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL4346339 0.82 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL189191 0.81 PIK3CG (0.58) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL2301438 0.81 PIK3CG (0.67) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL4342354 0.80 PIK3CG (0.64) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL3689501 0.80 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1
SCHEMBL188656 0.80 PIK3CG (0.59) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A1

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 4 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 claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed