SCHEMBL18166242

SCHEMBL18166242

C[C@@H]1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 1.00
▸ PIK3CD O00329 1/20 0.58
▸ PIK3CA P42336 1/20 0.58
▸ PIK3CB P42338 1/20 0.58

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
SCHEMBL18166241 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL12475642 1.00 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL12476037 0.89 AKT1 (1.00) AKT1PIK3CDPIK3CB
SCHEMBL15317584 0.89 AKT1 (1.00) AKT1PIK3CDPIK3CB
SCHEMBL15317585 0.89 AKT1 (1.00) AKT1PIK3CDPIK3CB
SCHEMBL1030753 0.86 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL15317587 0.85 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL12475491 0.85 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL15317586 0.85 AKT1 (1.00) AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL18166231 0.85 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 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
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