SCHEMBL4787625

SCHEMBL4787625

Nc1nc2c(c(-c3cccnc3)n1)-c1cc(NS(=O)(=O)c3ccc(F)cc3F)c(Cl)cc1CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.42
MTOR P42345 4/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
ACLY P53396 1/20 0.40
PI4KA P42356 5/20 0.39
PIK3CG P48736 5/20 0.39
KDM4E B2RXH2 1/20 0.39
CCR2 P41597 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
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
SCHEMBL4739014 0.91 PI4KA (0.42) PIK3CAMTORPIK3CDACLYPI4KA
SCHEMBL4741753 0.90 CCR2 (0.42) PIK3CAMTORPIK3CDPIK3CBACLY
SCHEMBL14148281 0.90 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4787508 0.89 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CBPI4KA
SCHEMBL4736827 0.86 CCR2 (0.40) PIK3CAMTORPIK3CDACLYPI4KA
SCHEMBL4785896 0.85 ADORA2A (0.41) PIK3CAMTORPIK3CDPIK3CBPI4KA
SCHEMBL4740778 0.85 CCR2 (0.39) PIK3CAMTORPIK3CDACLYPI4KA
SCHEMBL4739903 0.85 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4787518 0.85 CCR2 (0.41) PIK3CAMTORPIK3CDPI4KAPIK3CG
SCHEMBL4741115 0.84 PIK3CD (0.40) PIK3CAMTORPIK3CDPIK3CBPI4KA

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