SCHEMBL4462645

SCHEMBL4462645

COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)N3CCN(C)CC3)c2)c1.COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)NC(C)(C)C(=O)N3CCCCC3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.54
PIK3CD O00329 4/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PRKDC P78527 1/20 0.54
PIK3C3 Q8NEB9 1/20 0.54
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL189225 0.94 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189754 0.89 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188402 0.83 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189112 0.82 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188756 0.80 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL190117 0.79 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188873 0.79 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189277 0.79 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL4508101 0.79 PIK3CD (0.43) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188987 0.78 PIK3CG (0.67) 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