SCHEMBL17424845

SCHEMBL17424845

CC(C)CNCC[C@@H](C(=O)N1CCN(c2ncnc3c2C(C)C[C@H]3O)CC1)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.66
AKT2 P31751 20/20 0.66
AKT3 Q9Y243 20/20 0.66
PIK3CA P42336 1/20 0.64
PRKG1 Q13976 1/20 0.64

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
SCHEMBL192068 1.00 AKT1 (0.66) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192069 1.00 AKT1 (0.66) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191318 0.91 AKT1 (0.63) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191317 0.91 AKT1 (0.63) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193468 0.90 AKT1 (0.71) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL193467 0.90 AKT1 (0.71) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192078 0.90 AKT1 (0.64) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192444 0.90 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL192443 0.90 AKT1 (0.59) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL191003 0.90 AKT1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966065-A2 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-01-13 EP disclosed