SCHEMBL4741753

SCHEMBL4741753

Nc1nc2c(c(-c3cccc(F)c3)n1)-c1cc(NS(=O)(=O)c3ccc(F)cc3F)c(Cl)cc1CC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CA P42336 8/20 0.38
MTOR P42345 3/20 0.38
BRAF P15056 1/20 0.38
PIK3CG P48736 4/20 0.37
PI4KA P42356 3/20 0.37
ACLY P53396 1/20 0.37
PIK3CB P42338 2/20 0.36

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 0.94 PI4KA (0.42) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4787508 0.92 PIK3CD (0.44) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4736827 0.92 CCR2 (0.40) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4785896 0.92 ADORA2A (0.41) CCR2PIK3CDPIK3CAMTORPIK3CG
SCHEMBL4740778 0.92 CCR2 (0.39) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4787625 0.90 PIK3CA (0.42) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4740771 0.90 CCR2 (0.38) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL14148281 0.90 PIK3CA (0.48) CCR2PIK3CDPIK3CAMTORBRAF
SCHEMBL4741146 0.90 PIK3C3 (0.40) CCR2PIK3CDPIK3CAMTOR
SCHEMBL4785904 0.90 PIK3CA (0.40) CCR2PIK3CDPIK3CAMTORBRAF

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