SCHEMBL13655352

SCHEMBL13655352

C/N=C(/c1cc2c(s1)-c1ccc(Br)cc1OCC2)N(C(N)=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
PIK3CA P42336 19/20 0.43
PIK3CB P42338 12/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CG P48736 2/20 0.41
MTOR P42345 1/20 0.39
PRKDC P78527 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
SCHEMBL989483 0.80 NOTUM (0.70) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL989543 0.80 NOTUM (0.52) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL15173259 0.79 NOTUM (0.55) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL991030 0.78 NOTUM (0.56) NOTUMPIK3CAPIK3CB
SCHEMBL17302376 0.77 NOTUM (0.53) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL988994 0.77 NOTUM (0.55) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4235720 0.77 NOTUM (0.55) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL989482 0.76 KDM4E (0.56) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL988878 0.76 NOTUM (0.55) NOTUMPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL988463 0.71 NOTUM (0.70) NOTUMPIK3CAPIK3CB

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
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed