SCHEMBL13188342

SCHEMBL13188342

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.49
PIK3CG P48736 14/20 0.49
PIK3CA P42336 12/20 0.49
PIK3CB P42338 2/20 0.45
PI4KA P42356 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MTOR P42345 2/20 0.43
PIK3R1 P27986 1/20 0.43
RPTOR Q8N122 1/20 0.43
PIK3R5 Q8WYR1 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
ABL1 P00519 2/20 0.43
AKT1 P31749 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL13188340 0.93 PIK3CG (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL13188288 0.93 PIK3CG (0.50) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL13188747 0.92 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPI4KA
SCHEMBL13188393 0.91 ABL1 (0.47) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL13188906 0.88 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAMTORABL1
SCHEMBL13188683 0.88 PIK3CG (0.36) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL13188907 0.87 PIK3CG (0.50) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13188327 0.87 PIK3CG (0.65) PIK3CDPIK3CGPIK3CAMTORABL1
SCHEMBL13188338 0.86 PIK3CG (0.54) PIK3CDPIK3CGPIK3CAABL1
SCHEMBL13189181 0.86 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAPIK3CBMTOR

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