SCHEMBL4338570

SCHEMBL4338570

COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CCCN(C)C)c2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.58
PIK3CD O00329 4/20 0.55
LMNA P02545 5/20 0.50
MAPT P10636 4/20 0.50
HCRTR1 O43613 1/20 0.50
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL4484711 0.89 PIK3CG (0.57) PIK3CGPIK3CDLMNAMAPTHCRTR1
SCHEMBL188733 0.88 PIK3CD (0.70) PIK3CGPIK3CDLMNAMAPTPIK3CA
SCHEMBL4344893 0.83 PIK3CG (0.53) PIK3CGPIK3CDLMNAMAPTHCRTR1
SCHEMBL4344214 0.82 MEN1 (0.54) PIK3CGPIK3CDLMNAMAPTHCRTR1
SCHEMBL188457 0.79 PIK3CD (0.68) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL4559318 0.79 MAPT (0.58) PIK3CGPIK3CDLMNAMAPTHCRTR1
SCHEMBL189293 0.79 PIK3CG (0.75) PIK3CGPIK3CDMAPTPIK3CAPIK3CB
SCHEMBL189757 0.78 PIK3CG (0.60) PIK3CGPIK3CDLMNAMAPTPIK3CA
SCHEMBL188330 0.77 PIK3CG (0.71) PIK3CGPIK3CDLMNAMAPTPIK3CA
SCHEMBL188486 0.77 PIK3CG (0.73) PIK3CGPIK3CDLMNAMAPTPIK3CA

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 claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed