SCHEMBL989505

SCHEMBL989505

NNN1CC2=C(CCOc3ccc(Br)cc32)S1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
PIK3CD O00329 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
APP P05067 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CTSL P07711 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL988754 0.90 LMNA (0.34) LMNAMAPTHTTBLM
SCHEMBL989248 0.80 HDAC3 (0.34) PIK3CAPIK3CBPIK3CGPIK3CDLMNA
SCHEMBL989471 0.78 NOTUM (0.34) PIK3CAPIK3CBPIK3CGPIK3CDLMNA
SCHEMBL989459 0.77 PIK3CA (0.34) PIK3CAPIK3CBPIK3CGPIK3CDLMNA
SCHEMBL15200696 0.75 RAB9A (0.33) PIK3CAPIK3CBPIK3CGPIK3CDLMNA
SCHEMBL988556 0.73 LMNA (0.36) LMNAMAPTHTTBLM
SCHEMBL1516808 0.72 LMNA (0.37) PIK3CAPIK3CBPIK3CGPIK3CDLMNA
SCHEMBL1516837 0.72 LMNA (0.37) PIK3CAPIK3CBPIK3CGPIK3CDLMNA
SCHEMBL988657 0.71 NPC1 (0.35) PIK3CAPIK3CBPIK3CGPIK3CDMAPT
SCHEMBL1516943 0.71 LMNA (0.37) PIK3CAPIK3CBPIK3CGPIK3CDLMNA

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 disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed