SCHEMBL988697

SCHEMBL988697

CC(C)c1n[nH]c(-c2nc3c(s2)CCOc2ccc(-c4nnn[nH]4)cc2-3)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.41
PIK3CB P42338 17/20 0.40
PIK3CG P48736 11/20 0.40
PIK3CD O00329 9/20 0.40

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
SCHEMBL15663283 0.85 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663284 0.84 PIK3CA (0.41) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663311 0.84 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1083123 0.82 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL988696 0.79 PIK3CA (0.66) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1040757 0.79 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1620834 0.78 PIK3CA (0.48) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663273 0.78 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL15663274 0.77 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL990167 0.76 PIK3CA (0.70) 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 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