SCHEMBL4459854

SCHEMBL4459854

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(Cc3ccccc3)C(=O)C3CNC3)c2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.57
PIK3CG P48736 11/20 0.51
PIK3CA P42336 4/20 0.51
PIK3CB P42338 3/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKDC P78527 2/20 0.45
MTOR P42345 1/20 0.45
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
MAPT P10636 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 1/20 0.42

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
SCHEMBL3803465 0.92 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL4343994 0.90 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL4344190 0.89 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL3807113 0.89 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL4454726 0.86 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL3691116 0.86 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL4540221 0.86 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL3143741 0.83 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL3803471 0.82 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL189168 0.81 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBMEN1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed