SCHEMBL4787508

SCHEMBL4787508

Nc1nc2c(c(-c3ccc(F)cc3)n1)-c1cc(NS(=O)(=O)c3ccc(F)cc3F)c(Cl)cc1CC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 9/20 0.42
MTOR P42345 4/20 0.42
CCR2 P41597 5/20 0.40
BRAF P15056 1/20 0.39
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
POLB P06746 1/20 0.37
PRF1 P14222 1/20 0.37

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 0.95 PI4KA (0.42) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL14148281 0.94 PIK3CA (0.48) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL4787518 0.94 CCR2 (0.41) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL4740239 0.93 PIK3CA (0.45) PIK3CDPIK3CAMTORBRAFPIK3CB
SCHEMBL4741115 0.93 PIK3CD (0.40) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL4741753 0.92 CCR2 (0.42) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL4736805 0.91 PIK3CD (0.39) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL4738329 0.91 PIK3CA (0.42) PIK3CDPIK3CAMTORCCR2BRAF
SCHEMBL4737748 0.91 PIK3C3 (0.42) PIK3CDPIK3CAMTORBRAF
SCHEMBL4787625 0.89 PIK3CA (0.42) PIK3CDPIK3CAMTORCCR2BRAF

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