SCHEMBL3715291

SCHEMBL3715291

CC(=O)Nc1nc2ccc(-c3cccc(S(=O)(=O)NCCN4CCOCC4)c3)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.57
ABL1 P00519 3/20 0.57
PIK3CG P48736 2/20 0.53
AKT1 P31749 3/20 0.51
MTOR P42345 3/20 0.51
ILK Q13418 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
PHGDH O43175 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL13188176 0.84 POLB (0.64) PIK3CAPIK3CGAKT1MTORHTT
SCHEMBL13188175 0.84 PIK3CG (0.64) PIK3CAPIK3CGAKT1MTOR
SCHEMBL3715092 0.82 PIK3CG (0.61) PIK3CAPIK3CGAKT1MTOR
SCHEMBL3869294 0.82 PIK3CG (0.66) PIK3CAABL1PIK3CGAKT1MTOR
SCHEMBL3712282 0.81 PIK3CA (0.61) PIK3CAPIK3CGAKT1MTOR
SCHEMBL3720394 0.81 PIK3CG (0.60) PIK3CAABL1PIK3CGAKT1MTOR
SCHEMBL48902 0.80 TDP1 (0.59) PIK3CAPIK3CGTDP1
SCHEMBL3869295 0.77 PIK3CG (0.72) PIK3CAPIK3CGAKT1MTORSMN1; SMN2
SCHEMBL3713333 0.77 PIK3CG (0.59) PIK3CAPIK3CGAKT1MTOR
SCHEMBL3709005 0.77 PIK3CG (0.61) PIK3CAPIK3CGAKT1MTOR

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 4 patents. 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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO disclosed