SCHEMBL3948631

SCHEMBL3948631

C[C@@H]1CCc2ncnc(N3CCN([C@@H](c4ccc(Cl)c(F)c4)C(C=O)NC(=O)O)C[C@@H]3C)c21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.39
AKT2 P31751 4/20 0.39
AKT3 Q9Y243 4/20 0.39
MAPK1 P28482 2/20 0.34
AKT1S1 Q96B36 3/20 0.33
CDK2 P24941 1/20 0.33
KIT P10721 4/20 0.33
P2RX3 P56373 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL3944423 0.90 AKT1 (0.46) AKT1AKT2AKT3KIT
SCHEMBL3976018 0.88 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL3943219 0.86 AKT1 (0.51) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL4570722 0.86 AKT1 (0.36) AKT1AKT2AKT3AKT1S1P2RX3
SCHEMBL2263425 0.79 AKT1 (0.43) AKT1AKT2AKT3MAPK1CDK2
SCHEMBL3978929 0.78 AKT1 (0.55) AKT1AKT2AKT3
SCHEMBL2262878 0.76 AKT1 (0.47) AKT1AKT2AKT3MAPK1
SCHEMBL3948629 0.73 AKT1 (0.42) AKT1AKT2AKT3MAPK1
SCHEMBL2557757 0.73 AKT1 (0.51) AKT1AKT2AKT3
SCHEMBL2262855 0.71 AKT1 (0.53) 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