SCHEMBL15518293

SCHEMBL15518293

O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1CF

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.81
PIK3CD O00329 3/20 0.73
PIK3CB P42338 3/20 0.73
PIK3CA P42336 2/20 0.73
CYP3A4 P08684 1/20 0.73

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
SCHEMBL27863820 0.92 AKT1 (0.80) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1028435 0.90 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL931988 0.89 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1029803 0.88 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1031125 0.88 AKT1 (0.83) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1031851 0.88 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1030935 0.87 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL12956340 0.87 AKT1 (0.81) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1030422 0.87 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4
SCHEMBL1029891 0.85 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CACYP3A4

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
EP-2448927-B1 NOVEL (6-OXO-1, 6-DIHYDRO-PYRIMIDIN-2-YL)-AMIDE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2014-03-12 EP claimed