SCHEMBL13655328

SCHEMBL13655328

C=C1CCN(C(=O)c2ccc3c(c2)-c2sc(C(=O)N(C)c4ccc(F)cc4F)cc2CO3)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.57
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 5/20 0.47
TP53 P04637 2/20 0.47
NOTUM Q6P988 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIK3CB P42338 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL990974 0.88 PIK3CA (0.59) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL990292 0.87 PIK3CA (0.61) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL989557 0.86 PIK3CA (0.57) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL12535807 0.84 PIK3CA (0.55) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL12535808 0.84 PIK3CA (0.55) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL989422 0.84 PIK3CA (0.55) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL989458 0.84 PIK3CA (0.62) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL987960 0.84 PIK3CA (0.62) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL988504 0.84 PIK3CA (0.69) PIK3CAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL989618 0.83 PIK3CA (0.64) PIK3CAALDH1A1GAAL3MBTL1KDM4E

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