SCHEMBL4471474

SCHEMBL4471474

COCC(CI)NC(=O)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)ccc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.58
PIK3CD O00329 4/20 0.58
PIK3CA P42336 1/20 0.58
PIK3CB P42338 1/20 0.58
PRKDC P78527 1/20 0.58
PIK3C3 Q8NEB9 1/20 0.58
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.44
POLB P06746 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
SCHEMBL188967 0.90 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189516 0.86 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188987 0.85 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189285 0.85 PIK3CD (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188513 0.84 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14053338 0.84 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188975 0.83 PIK3CG (0.65) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188502 0.83 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL184946 0.83 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189170 0.83 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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