SCHEMBL17613233

SCHEMBL17613233

O=NC(=O)c1cn2c(n1)-c1ccc(Br)cc1OCC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 17/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 3/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL1485015 0.87 MAP3K14 (0.44) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL1484994 0.86 MAP3K14 (0.55) MAP3K14PIK3CDPIK3R1
SCHEMBL12539208 0.84 MAP3K14 (0.40) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL12539507 0.84 MAP3K14 (0.40) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL1485071 0.84 MAP3K14 (0.42) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL1485289 0.84 MAP3K14 (0.40) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL12689314 0.84 MAP3K14 (0.43) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL1484978 0.83 MAP3K14 (0.43) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL15490518 0.82 MAP3K14 (0.40) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG
SCHEMBL19594749 0.82 PIK3CA (0.42) MAP3K14PIK3CDPIK3R1PIK3CAPIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711368-B1 Benzoxazepin PI3K inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2016-03-23 EP disclosed