SCHEMBL4556196

SCHEMBL4556196

C[AsH]Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.54
PIK3R1 P27986 10/20 0.54
MTOR P42345 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42

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
SCHEMBL7898875 0.87 PIK3CA (0.56) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL25391998 0.86 PIK3CA (0.57) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL190498 0.85 PIK3CA (0.56) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL184741 0.85 PIK3CA (0.74) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL466342 0.85 PIK3CA (0.56) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL13871747 0.85 PIK3CA (0.56) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1862672 0.84 PIK3CA (0.53) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL189807 0.84 PIK3CA (0.53) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1088049 0.84 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL4076548 0.82 PIK3CA (0.60) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD

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-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed