SCHEMBL4458554

SCHEMBL4458554

CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)Nc3nc4ccccc4nc3Nc3cc(OC)cc(OC)c3)c2)CC1.COc1ccc(C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.51
PIK3CD O00329 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
PRKDC P78527 2/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KEAP1 Q14145 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
SCHEMBL189213 0.93 PIK3CG (0.54) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL13416234 0.89 PIK3CG (0.52) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL13452395 0.88 PIK3CG (0.55) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL4341568 0.88 PIK3CG (0.54) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL189182 0.87 PIK3CG (0.61) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL188854 0.87 PIK3CG (0.56) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL189852 0.87 PIK3CG (0.55) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL189067 0.86 PIK3CG (0.53) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL189059 0.86 PIK3CG (0.53) PIK3CGPIK3CDMEN1KMT2APIK3CA
SCHEMBL189365 0.85 PIK3CG (0.52) PIK3CGPIK3CDMEN1KMT2APIK3CA

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