SCHEMBL3713153

SCHEMBL3713153

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.64
PIK3CA P42336 7/20 0.58
AKT1 P31749 5/20 0.56
MTOR P42345 4/20 0.56
CYP3A4 P08684 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PAX8 Q06710 1/20 0.51
ABL1 P00519 1/20 0.50
DYRK1A Q13627 1/20 0.50

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
SCHEMBL3708465 0.95 PIK3CG (0.65) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3708047 0.92 PIK3CG (0.66) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3715092 0.88 PIK3CG (0.61) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL13188175 0.86 PIK3CG (0.64) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3869295 0.85 PIK3CG (0.72) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3705799 0.85 PIK3CG (0.62) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3719581 0.84 PIK3CG (0.61) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3882675 0.84 PIK3CG (0.70) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3869294 0.83 PIK3CG (0.66) PIK3CGPIK3CAAKT1MTORCYP3A4
SCHEMBL3877563 0.83 PIK3CG (0.69) PIK3CGPIK3CAAKT1MTORCYP3A4

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