SCHEMBL4741146

SCHEMBL4741146

CC(=O)Nc1cccc(-c2nc(N)nc3c2-c2cc(NS(=O)(=O)c4ccc(F)cc4F)c(Cl)cc2CC3)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 10/20 0.40
CCR2 P41597 1/20 0.37
C1S P09871 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CA P42336 4/20 0.36
MTOR P42345 1/20 0.36
PIK3CD O00329 1/20 0.36
USP2 O75604 1/20 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
SCHEMBL4737748 0.92 PIK3C3 (0.42) PIK3C3PIK3CAMTORPIK3CD
SCHEMBL4741753 0.90 CCR2 (0.42) CCR2PIK3CAMTORPIK3CD
SCHEMBL4740778 0.88 CCR2 (0.39) CCR2C1SPIK3CAMTORPIK3CD
SCHEMBL4785904 0.87 PIK3CA (0.40) CCR2PIK3CAMTORPIK3CD
SCHEMBL4739014 0.87 PI4KA (0.42) CCR2PIK3CAMTORPIK3CD
SCHEMBL4736827 0.87 CCR2 (0.40) CCR2PIK3CAMTORPIK3CD
SCHEMBL4785896 0.86 ADORA2A (0.41) CCR2PIK3CAMTORPIK3CD
SCHEMBL4787508 0.85 PIK3CD (0.44) CCR2PIK3CAMTORPIK3CD
SCHEMBL4740771 0.85 CCR2 (0.38) CCR2PIK3CAMTORPIK3CD
SCHEMBL4738329 0.84 PIK3CA (0.42) PIK3C3CCR2PIK3CAMTORPIK3CD

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