SCHEMBL13189181

SCHEMBL13189181

COCc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.52
PIK3CA P42336 11/20 0.52
PIK3CD O00329 2/20 0.49
ABL1 P00519 3/20 0.43
ITK Q08881 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
RPTOR Q8N122 1/20 0.41
PIK3R5 Q8WYR1 1/20 0.41
MLST8 Q9BVC4 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
SCHEMBL13188206 0.93 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDABL1ITK
SCHEMBL13189183 0.93 PIK3CG (0.53) PIK3CGPIK3CAPIK3CDABL1ITK
SCHEMBL13188213 0.90 PIK3CD (0.49) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188327 0.90 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDABL1MTOR
SCHEMBL13188906 0.87 PIK3CD (0.51) PIK3CGPIK3CAPIK3CDABL1MTOR
SCHEMBL13188907 0.87 PIK3CG (0.50) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL13188342 0.86 PIK3CD (0.49) PIK3CGPIK3CAPIK3CDABL1PIK3R1
SCHEMBL13188338 0.86 PIK3CG (0.54) PIK3CGPIK3CAPIK3CDABL1ITK
SCHEMBL3707116 0.84 PIK3CD (0.51) PIK3CGPIK3CAPIK3CDABL1ITK
SCHEMBL13188326 0.83 PIK3CG (0.66) PIK3CGPIK3CAPIK3CDABL1MTOR

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