SCHEMBL4740239

SCHEMBL4740239

COc1ccc(-c2nc(N)nc3c2-c2cc(NS(=O)(=O)c4ccc(F)cc4F)c(Cl)cc2CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.45
MTOR P42345 6/20 0.45
PIK3CG P48736 5/20 0.41
PI4KA P42356 3/20 0.41
PIK3CD O00329 3/20 0.40
PIK3CB P42338 2/20 0.40
PIK3R1 P27986 2/20 0.39
BRAF P15056 1/20 0.38

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
SCHEMBL4787508 0.93 PIK3CD (0.44) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4785896 0.92 ADORA2A (0.41) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4787518 0.90 CCR2 (0.41) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4739014 0.90 PI4KA (0.42) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL14148281 0.89 PIK3CA (0.48) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL4738329 0.88 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL4736805 0.88 PIK3CD (0.39) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4741115 0.88 PIK3CD (0.40) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4741753 0.87 CCR2 (0.42) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL4737748 0.87 PIK3C3 (0.42) PIK3CAMTORPIK3CDBRAF

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