SCHEMBL17072337

SCHEMBL17072337

C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C.C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C

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 4/20 0.65
▸ PIK3CB P42338 4/20 0.65
▸ PIK3CA P42336 3/20 0.65
▸ PIK3CG P48736 3/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ PIK3C2G O75747 1/20 0.65
▸ PRKDC P78527 1/20 0.65
▸ PIK3C3 Q8NEB9 1/20 0.65

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
SCHEMBL12475475 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL12475904 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL12475480 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1030753 0.90 AKT1 (1.00) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17072336 0.83 AKT1 (0.83) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL12475906 0.83 AKT1 (0.83) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL12475863 0.83 AKT1 (0.83) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL12475868 0.83 AKT1 (0.83) AKT1PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL12475838 0.79 AKT1 (1.00) AKT1
SCHEMBL12475837 0.79 AKT1 (1.00) AKT1

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
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 — — US claimed
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