SCHEMBL3976018

SCHEMBL3976018

C[C@@H]1SCc2ncnc(N3CCN([C@@H](c4ccc(Cl)c(F)c4)C(C=O)NC(=O)O)C[C@@H]3C)c21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.46
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34

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
SCHEMBL3978929 0.90 AKT1 (0.55) AKT1AKT2AKT3
SCHEMBL3948631 0.88 AKT1 (0.39) AKT1AKT2AKT3
SCHEMBL3943219 0.84 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL2573577 0.79 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL3944423 0.77 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL2577390 0.76 AKT1 (0.63) AKT1
SCHEMBL2571892 0.74 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL2574577 0.74 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL2571895 0.74 AKT1 (0.63) AKT1AKT2AKT3
SCHEMBL3976015 0.74 AKT1 (0.57) 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-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed