SCHEMBL1543899

SCHEMBL1543899

CS(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCN(CCc5ccccc5)CC4)c3c2)cnc1Cl

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.67
PIK3CD O00329 8/20 0.59
PIK3CB P42338 7/20 0.59
PIK3CG P48736 7/20 0.59
MTOR P42345 2/20 0.59
EGFR P00533 3/20 0.55
PRKDC P78527 2/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL1543346 0.88 PIK3CA (0.87) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543898 0.83 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543765 0.83 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543487 0.82 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543536 0.82 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1544261 0.81 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543335 0.80 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543905 0.78 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543567 0.77 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543975 0.77 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO claimed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed