SCHEMBL13655337

SCHEMBL13655337

CC(C)n1ncnc1-c1cc2c(s1)-c1ccc(N)cc1OCC2

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.76
PIK3CB P42338 10/20 0.76
PIK3CG P48736 9/20 0.76
PIK3CD O00329 7/20 0.76

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
SCHEMBL1043553 0.88 PIK3CA (0.73) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1043275 0.87 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1041525 0.85 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484515 0.85 PIK3CA (0.69) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1041471 0.82 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1041707 0.82 PIK3CA (0.69) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1042816 0.81 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1041991 0.81 PIK3CA (0.86) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL12316606 0.80 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL16105442 0.80 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGPIK3CD

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