SCHEMBL18166236

SCHEMBL18166236

C[C@@H]1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 18/20 1.00
▸ PIK3CD O00329 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ PIK3CB P42338 2/20 0.59

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
SCHEMBL12475984 1.00 AKT1 (1.00) AKT1PIK3CDCYP3A4PIK3CB
SCHEMBL18166256 1.00 AKT1 (1.00) AKT1PIK3CDCYP3A4PIK3CB
SCHEMBL18166238 0.90 AKT1 (1.00) AKT1
SCHEMBL12475837 0.90 AKT1 (1.00) AKT1
SCHEMBL18166257 0.90 AKT1 (1.00) AKT1
SCHEMBL12475990 0.90 AKT1 (1.00) AKT1
SCHEMBL12475880 0.90 AKT1 (1.00) AKT1
SCHEMBL12475838 0.90 AKT1 (1.00) AKT1
SCHEMBL15317584 0.85 AKT1 (1.00) AKT1PIK3CDCYP3A4PIK3CB
SCHEMBL18166251 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
Send feedback