SCHEMBL3226712

SCHEMBL3226712

CC(C)(C)NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 20/20 1.00
PIK3CD O00329 17/20 1.00
PIK3CB P42338 5/20 1.00
PIK3CA P42336 4/20 1.00
PAK4 O96013 1/20 1.00
JAK1 P23458 1/20 1.00
CSNK1A1 P48729 1/20 1.00
AAK1 Q2M2I8 1/20 1.00
PIP4K2C Q8TBX8 1/20 1.00
CSNK1G1 Q9HCP0 1/20 1.00

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
SCHEMBL13536557 0.90 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3234736 0.88 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3226438 0.85 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3231244 0.85 PIK3CG (0.84) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL845138 0.85 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3262808 0.84 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3234064 0.83 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3228404 0.83 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3346340 0.83 PIK3CG (0.70) PIK3CGPIK3CDPIK3CBPIK3CAPAK4
SCHEMBL3222900 0.82 PIK3CG (1.00) PIK3CGPIK3CDPIK3CBPIK3CAPAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO claimed
WO-2010057877-A1 7-PYRIDINYL- OR PHENYL- SUBSTITUTED TRIAZOLO [1, 5 -A] PYRIDINES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2010-05-27 WO disclosed
WO-2010057877-A1 7-PYRIDINYL- OR PHENYL- SUBSTITUTED TRIAZOLO [1, 5 -A] PYRIDINES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2010-05-27 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 WO disclosed