SCHEMBL18166239

SCHEMBL18166239

CC(C)[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
PIK3CD O00329 5/20 0.79
PIK3CA P42336 5/20 0.79
PIK3CB P42338 5/20 0.79
PIK3CG P48736 5/20 0.79
CYP3A4 P08684 3/20 0.79
PIK3C2G O75747 1/20 0.79
PRKDC P78527 1/20 0.79
PIK3C3 Q8NEB9 1/20 0.79

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
SCHEMBL12475796 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15319798 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
Sar-260301 SCHEMBL1030883 0.88 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
Sar-260301 SCHEMBL1027765 0.88 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
Sar-260301 SCHEMBL1030955 0.88 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15318789 0.87 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15318790 0.87 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12475817 0.87 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15321340 0.86 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12475464 0.86 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP claimed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed