SCHEMBL13655395

SCHEMBL13655395

Clc1ccccc1C1=C(c2cc3c(s2)-c2ncccc2OCC3)NCO1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.67
PIK3CB P42338 4/20 0.38
NOTUM Q6P988 1/20 0.36
PTAFR P25105 1/20 0.32

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
SCHEMBL989272 0.80 PIK3CA (1.00) PIK3CAPIK3CBNOTUM
SCHEMBL989431 0.80 PIK3CA (0.80) PIK3CAPIK3CBNOTUM
SCHEMBL1038682 0.79 PIK3CA (0.66) PIK3CAPIK3CBNOTUM
SCHEMBL12535008 0.77 PIK3CA (0.66) PIK3CAPIK3CBNOTUM
SCHEMBL13655289 0.76 PIK3CA (0.52) PIK3CAPIK3CBNOTUM
SCHEMBL1041397 0.74 PIK3CA (0.76) PIK3CAPIK3CB
SCHEMBL1040881 0.74 PIK3CA (0.77) PIK3CAPIK3CB
SCHEMBL12534854 0.74 PIK3CA (0.88) PIK3CAPIK3CBNOTUM
SCHEMBL990579 0.71 PIK3CA (0.55) PIK3CAPIK3CBNOTUM
SCHEMBL989463 0.70 PIK3CA (0.54) PIK3CAPIK3CBNOTUM

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