SCHEMBL16457239

SCHEMBL16457239

CC(C)c1cn(CCNC(C)(C)C)c(C2CCN(c3ncnc4c3C(C(F)(F)F)CC(=O)N4)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.52
RPS6KB1 P23443 11/20 0.52
RPS6KA1 Q15418 10/20 0.52
PRKCB P05771 4/20 0.52
AKT3 Q9Y243 2/20 0.44
AKT2 P31751 1/20 0.44
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL9927834 1.00 AKT1 (0.52) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL9942265 0.91 AKT1 (0.51) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL9927839 0.91 AKT1 (0.59) AKT1RPS6KB1RPS6KA1PRKCBAKT3
Hydrochloric Acid SCHEMBL9894440 0.90 AKT1 (0.59) AKT1RPS6KB1RPS6KA1PRKCBAKT3
Hydrochloric Acid SCHEMBL9894438 0.90 AKT1 (0.59) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL9894733 0.89 AKT1 (0.56) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL9894359 0.89 AKT1 (0.66) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL9894731 0.89 AKT1 (0.56) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL1662539 0.89 AKT1 (0.55) AKT1RPS6KB1RPS6KA1PRKCBAKT3
SCHEMBL9894363 0.89 AKT1 (0.66) AKT1RPS6KB1RPS6KA1PRKCBAKT3

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-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed