SCHEMBL3710167

SCHEMBL3710167

CC(C)(C)c1nc(CCNC(=O)Nc2nc3ccc(-c4cncc(CNC(=O)O)c4)cc3s2)no1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.49
PIK3CA P42336 9/20 0.49
PIK3CD O00329 1/20 0.49
ABL1 P00519 3/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3707116 0.91 PIK3CD (0.51) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188220 0.90 PIK3CG (0.48) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188578 0.89 PIK3CG (0.53) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13189183 0.89 PIK3CG (0.53) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188713 0.89 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL3711584 0.87 PIK3CD (0.51) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188213 0.87 PIK3CD (0.49) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188292 0.86 PIK3CG (0.53) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188210 0.86 PIK3CD (0.51) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188400 0.86 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed