SCHEMBL16457368

SCHEMBL16457368

CCCCc1cn(CCO)c(C2CCN(c3ncnc4c3C(C)CC(=O)N4)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.66
RPS6KB1 P23443 7/20 0.66
PRKCB P05771 4/20 0.66
RPS6KA1 Q15418 4/20 0.66
AKT3 Q9Y243 13/20 0.40
AKT2 P31751 10/20 0.40
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.36

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
SCHEMBL16457366 1.00 AKT1 (0.66) AKT1RPS6KB1PRKCBRPS6KA1AKT3
SCHEMBL16457490 0.95 AKT1 (0.68) AKT1RPS6KB1PRKCBRPS6KA1AKT3
SCHEMBL16457491 0.95 AKT1 (0.68) AKT1RPS6KB1PRKCBRPS6KA1AKT3
SCHEMBL16457141 0.92 AKT1 (0.65) AKT1RPS6KB1PRKCBRPS6KA1AKT3
SCHEMBL16457139 0.92 AKT1 (0.65) AKT1RPS6KB1PRKCBRPS6KA1AKT3
SCHEMBL9894241 0.90 AKT1 (0.80) AKT1RPS6KB1PRKCBRPS6KA1
SCHEMBL9894563 0.90 RPS6KB1 (0.78) AKT1RPS6KB1PRKCBRPS6KA1
SCHEMBL9894561 0.90 RPS6KB1 (0.78) AKT1RPS6KB1PRKCBRPS6KA1
SCHEMBL16457804 0.90 AKT1 (0.59) AKT1RPS6KB1PRKCBRPS6KA1AKT3
SCHEMBL16457805 0.90 AKT1 (0.59) AKT1RPS6KB1PRKCBRPS6KA1AKT3

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