SCHEMBL989388

SCHEMBL989388

Fc1ccc(-n2cnnc2-c2cc3c(s2)CCOc2ccc(Br)cc2-3)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.42
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.36
MAP3K5 Q99683 7/20 0.35
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
PIK3CD O00329 1/20 0.31
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL989355 0.86 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGPIK3C3MAP3K5
SCHEMBL1041064 0.85 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGPIK3C3MAP3K5
SCHEMBL1038152 0.78 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGMAP3K5GABRG2
SCHEMBL1040000 0.73 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3C3PIK3CD
SCHEMBL988715 0.72 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGPIK3C3MAP3K5
SCHEMBL13655120 0.72 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGPIK3C3PIK3CD
SCHEMBL1041185 0.72 PIK3CA (0.63) PIK3CAPIK3C3PIK3CD
SCHEMBL1078672 0.71 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPIK3C3PIK3CD
SCHEMBL989959 0.71 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGMAP3K5GABRG2
SCHEMBL1039578 0.71 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGPIK3C3PIK3CD

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
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP claimed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO claimed