SCHEMBL4737748

SCHEMBL4737748

CC(=O)Nc1ccc(-c2nc(N)nc3c2-c2cc(NS(=O)(=O)c4ccc(F)cc4F)c(Cl)cc2CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.42
PIK3CA P42336 9/20 0.39
MTOR P42345 4/20 0.39
PIK3CD O00329 1/20 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
SCHEMBL4741146 0.92 PIK3C3 (0.40) PIK3C3PIK3CAMTORPIK3CD
SCHEMBL4787508 0.91 PIK3CD (0.44) PIK3CAMTORPIK3CDBRAF
SCHEMBL4738329 0.89 PIK3CA (0.42) PIK3C3PIK3CAMTORPIK3CDBRAF
SCHEMBL4741115 0.89 PIK3CD (0.40) PIK3C3PIK3CAMTORPIK3CDBRAF
SCHEMBL4787518 0.88 CCR2 (0.41) PIK3CAMTORPIK3CDBRAF
SCHEMBL4739014 0.88 PI4KA (0.42) PIK3CAMTORPIK3CDBRAF
SCHEMBL4740239 0.87 PIK3CA (0.45) PIK3CAMTORPIK3CDBRAF
SCHEMBL14148281 0.87 PIK3CA (0.48) PIK3C3PIK3CAMTORPIK3CDBRAF
SCHEMBL4736805 0.86 PIK3CD (0.39) PIK3CAMTORPIK3CDBRAF
SCHEMBL4741753 0.85 CCR2 (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