SCHEMBL3948629

SCHEMBL3948629

C[C@@H]1CCc2ncnc(N3CCN(N(C(=O)O)[C@@H](C=O)Cc4ccc(Cl)c(F)c4)C[C@@H]3C)c21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.42
AKT2 P31751 4/20 0.36
AKT3 Q9Y243 4/20 0.36
MAPK1 P28482 1/20 0.31
KRAS P01116 1/20 0.30

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
SCHEMBL3944415 0.90 AKT1 (0.43) AKT1AKT2AKT3
SCHEMBL3976015 0.88 AKT1 (0.57) AKT1
SCHEMBL3943213 0.86 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL2522372 0.79 AKT1 (0.61) AKT1AKT2AKT3
SCHEMBL2522376 0.79 AKT1 (0.61) AKT1AKT2AKT3
SCHEMBL2263420 0.79 AKT1 (0.46) AKT1AKT2AKT3MAPK1
Hydrochloric Acid SCHEMBL2266705 0.79 AKT1 (0.60) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL2266713 0.79 AKT1 (0.60) AKT1AKT2AKT3
SCHEMBL2262878 0.79 AKT1 (0.47) AKT1AKT2AKT3MAPK1
SCHEMBL2421335 0.78 AKT1 (0.52) 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-2049500-A1 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