SCHEMBL7993597

SCHEMBL7993597

C[C@@H]1CN(c2ccnc3ccc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc23)CCO1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.59
PIK3CD O00329 9/20 0.59
PIK3CB P42338 9/20 0.59
PIK3CG P48736 9/20 0.59
MTOR P42345 2/20 0.59
PRKDC P78527 2/20 0.59
PIK3C3 Q8NEB9 1/20 0.59
EGFR P00533 3/20 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
SCHEMBL1543570 0.90 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543567 0.90 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543972 0.90 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543975 0.90 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543536 0.88 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543502 0.83 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL15685728 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543765 0.81 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1543227 0.78 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1544113 0.78 PIK3CA (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed