SCHEMBL3944477

SCHEMBL3944477

C[C@@H]1C[C@H](O)c2ncnc(N3CCN(C(C)(C)C)CC3)c21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.52
AKT2 P31751 20/20 0.52
AKT3 Q9Y243 20/20 0.52
PIK3CA P42336 1/20 0.48
PRKG1 Q13976 1/20 0.48

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
SCHEMBL3131053 1.00 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3664890 1.00 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3401639 1.00 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12194050 0.85 AKT1 (0.53) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16488547 0.83 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16488551 0.83 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16488554 0.83 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL22533529 0.81 AKT1 (0.50) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL21919545 0.81 AKT1 (0.50) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3122777 0.81 AKT1 (0.50) AKT1AKT2AKT3PIK3CAPRKG1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694073-A1 COMBINATIONS OF AKT AND MEK INHIBITOR COMPOUNDS, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
EP-2694071-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
EP-2694485-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND VEMURAFENIB, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
EP-2694072-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ABIRATERONE, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
WO-2012135759-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ABIRATERONE, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012135781-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012135779-A1 COMBINATIONS OF AKT AND MEK INHIBITOR COMPOUNDS, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012135750-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND VEMURAFENIB, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
EP-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
EP-2049501-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma Inc. (US) 2009-04-22 EP disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed