SCHEMBL4739014

SCHEMBL4739014

Nc1nc2c(c(-c3ccccc3)n1)-c1cc(NS(=O)(=O)c3ccc(F)cc3F)c(Cl)cc1CC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.42
PIK3CG P48736 5/20 0.42
PIK3CD O00329 1/20 0.41
CCR2 P41597 4/20 0.41
PIK3CA P42336 6/20 0.41
MTOR P42345 4/20 0.41
ACLY P53396 3/20 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 0.95 PIK3CD (0.44) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL4741753 0.94 CCR2 (0.42) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL14148281 0.92 PIK3CA (0.48) PIK3CGPIK3CDCCR2PIK3CAMTOR
SCHEMBL4787625 0.91 PIK3CA (0.42) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL4787518 0.90 CCR2 (0.41) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL4736827 0.90 CCR2 (0.40) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL4741115 0.90 PIK3CD (0.40) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL4740239 0.90 PIK3CA (0.45) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL4785896 0.89 ADORA2A (0.41) PI4KAPIK3CGPIK3CDCCR2PIK3CA
SCHEMBL4740778 0.89 CCR2 (0.39) PI4KAPIK3CGPIK3CDCCR2PIK3CA

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