SCHEMBL11904557

SCHEMBL11904557

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 19/20 0.49
AKT1 P31749 19/20 0.49
AKT2 P31751 4/20 0.49
KCNH2 Q12809 4/20 0.49
AKT3 Q9Y243 4/20 0.49
GPR119 Q8TDV5 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
SCHEMBL2064656 0.89 GPR119 (0.47) RPS6KB1AKT1GPR119
SCHEMBL11904048 0.88 RPS6KB1 (0.61) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL11904481 0.88 RPS6KB1 (0.60) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL11904778 0.88 RPS6KB1 (0.62) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL11904650 0.87 RPS6KB1 (0.49) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2063100 0.87 RPS6KB1 (0.64) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL11904621 0.86 RPS6KB1 (0.63) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL11904398 0.85 RPS6KB1 (0.65) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL311278 0.85 RPS6KB1 (0.59) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2064733 0.84 RPS6KB1 (0.50) RPS6KB1AKT1AKT2KCNH2AKT3

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-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2012-08-15 EP disclosed