SCHEMBL113646

SCHEMBL113646

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CN4CCN(C(C)(C)C)CC4)cnc3F)nc(C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2B P41595 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
FAAH O00519 1/20 0.35
RAB9A P51151 1/20 0.34
PIK3CD O00329 7/20 0.34
PIK3CB P42338 6/20 0.34
PIK3CG P48736 6/20 0.34
SIGMAR1 Q99720 1/20 0.34
PIK3R1 P27986 1/20 0.34
MCHR1 Q99705 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
MTOR P42345 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL114787 0.87 FAAH (0.41) PIK3CAHRH1HRH4FAAHPIK3CD
SCHEMBL115367 0.87 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL115817 0.87 IDO1 (0.41) PIK3CAHRH1HRH4FAAHPIK3CD
SCHEMBL114964 0.80 AVPR1B (0.38) PIK3CASIGMAR1
SCHEMBL3099239 0.74 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL114963 0.74 PIK3CA (0.46) PIK3CAMTOR
SCHEMBL165835 0.73 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL115606 0.73 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL116034 0.73 PIK3CA (0.43) PIK3CAHRH1HRH4FAAHPIK3CD
SCHEMBL115836 0.73 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1

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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed