SCHEMBL3726131

SCHEMBL3726131

Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2nccc3[nH]ncc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.77
RPS6KA5 O75582 2/20 0.76
RPS6KA4 O75676 2/20 0.76
RPS6KA3 P51812 2/20 0.76
RPS6KA2 Q15349 2/20 0.76
RPS6KA1 Q15418 2/20 0.76
RPS6KB2 Q9UBS0 2/20 0.76
RPS6KA6 Q9UK32 2/20 0.76
AKT1 P31749 10/20 0.64
AKT2 P31751 4/20 0.60
AKT3 Q9Y243 4/20 0.60
CYP2B6 P20813 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
Ly-2584702 SCHEMBL29493101 0.87 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL311369 0.87 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL312564 0.86 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732666 0.79 RPS6KB1 (0.79) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL311653 0.79 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL29686398 0.79 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL803893 0.79 RPS6KB1 (0.85) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL2365472 0.78 RPS6KB1 (0.64) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL14782708 0.78 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL14786324 0.77 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2

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-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed