SCHEMBL4737498

SCHEMBL4737498

Nc1nc2c(c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n1)-c1cc(NS(=O)(=O)c3ccc(F)cc3F)c(Cl)cc1CC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CA P42336 7/20 0.38
PIK3CD O00329 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP14 P50281 1/20 0.36
KMT2A Q03164 1/20 0.36
MTOR P42345 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
BRAF P15056 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL4736847 0.92 TP53 (0.39) PI4KAPIK3CGPIK3CAPIK3CDMAPT
SCHEMBL4787508 0.89 PIK3CD (0.44) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL4787518 0.87 CCR2 (0.41) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL4739014 0.86 PI4KA (0.42) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL4736805 0.85 PIK3CD (0.39) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL14148281 0.85 PIK3CA (0.48) PIK3CGPIK3CAPIK3CDMTORBRAF
SCHEMBL4741115 0.84 PIK3CD (0.40) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL4740239 0.84 PIK3CA (0.45) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL4741753 0.83 CCR2 (0.42) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL4738329 0.82 PIK3CA (0.42) PIK3CGPIK3CAPIK3CDMAPK1MTOR

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
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed