SCHEMBL3973200

SCHEMBL3973200

CC1SCc2ncnc(N3CCN(C(=O)C(CN(C(=O)OC(C)(C)C)C4CC4)c4ccc(Cl)cc4)CC3)c21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.58
AKT2 P31751 4/20 0.51
AKT3 Q9Y243 4/20 0.51

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
SCHEMBL2573290 0.89 AKT1 (0.59) AKT1AKT2AKT3
SCHEMBL2576502 0.89 AKT1 (0.59) AKT1AKT2AKT3
SCHEMBL2576532 0.89 AKT1 (0.59) AKT1AKT2AKT3
SCHEMBL2573367 0.85 AKT1 (0.58) AKT1AKT2AKT3
SCHEMBL2575143 0.83 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2579508 0.83 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2573569 0.83 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2573491 0.83 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL14330234 0.83 AKT1 (0.77) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL2573663 0.83 AKT1 (0.76) AKT1AKT2AKT3

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