SCHEMBL2365472

SCHEMBL2365472

Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2cn[nH]c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.64
RPS6KA5 O75582 1/20 0.63
RPS6KA4 O75676 1/20 0.63
RPS6KA3 P51812 1/20 0.63
RPS6KA2 Q15349 1/20 0.63
RPS6KA1 Q15418 1/20 0.63
RPS6KB2 Q9UBS0 1/20 0.63
RPS6KA6 Q9UK32 1/20 0.63
AKT1 P31749 11/20 0.63
AKT2 P31751 4/20 0.63
AKT3 Q9Y243 4/20 0.63
KCNH2 Q12809 2/20 0.58
CYP2B6 P20813 1/20 0.58

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
SCHEMBL14782536 0.80 RPS6KB1 (0.62) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL311253 0.79 RPS6KB1 (0.61) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732549 0.79 RPS6KB1 (0.61) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL311369 0.78 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL3726131 0.78 RPS6KB1 (0.77) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL29493101 0.78 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Ly-2584702 SCHEMBL312564 0.78 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL14782708 0.78 RPS6KB1 (1.00) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL14782531 0.77 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14786368 0.77 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056574-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO claimed
WO-2010056575-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO claimed
WO-2016040078-A1 SUBSTITUTED PHENYL IMIDAZOLYL PIPERIDYL COMPOUNDS AS P70S6K1 INHIBITORS ELI LILLY AND COMPANY (US) 2016-03-17 WO disclosed
EP-2355820-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY Eli Lilly and Company (US) 2011-08-17 EP disclosed
WO-2010056574-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
WO-2010056575-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
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