SCHEMBL3976015

SCHEMBL3976015

C[C@@H]1SCc2ncnc(N3CCN(N(C(=O)O)[C@@H](C=O)Cc4ccc(Cl)c(F)c4)C[C@@H]3C)c21

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.57

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
SCHEMBL3978920 0.90 AKT1 (0.67) AKT1
SCHEMBL3948629 0.88 AKT1 (0.42) AKT1
SCHEMBL3943213 0.84 AKT1 (0.46) AKT1
SCHEMBL14330250 0.80 AKT1 (0.81) AKT1
SCHEMBL14330235 0.80 AKT1 (0.81) AKT1
SCHEMBL2573575 0.80 AKT1 (0.60) AKT1
Hydrochloric Acid SCHEMBL2576098 0.79 AKT1 (0.80) AKT1
Hydrochloric Acid SCHEMBL2576094 0.79 AKT1 (0.80) AKT1
SCHEMBL2577390 0.79 AKT1 (0.63) AKT1
SCHEMBL3944415 0.77 AKT1 (0.43) 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