SCHEMBL16457451

SCHEMBL16457451

CCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3C(CC)CC(=O)N4)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.67
AKT1 P31749 20/20 0.67
PRKCB P05771 4/20 0.67
RPS6KA1 Q15418 4/20 0.67

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
SCHEMBL9927836 1.00 RPS6KB1 (0.67) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL1662365 0.91 RPS6KB1 (0.80) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL1662368 0.91 RPS6KB1 (0.80) RPS6KB1AKT1PRKCBRPS6KA1
Hydrochloric Acid SCHEMBL1662992 0.90 RPS6KB1 (0.79) RPS6KB1AKT1PRKCBRPS6KA1
Hydrochloric Acid SCHEMBL1662990 0.90 RPS6KB1 (0.79) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9894819 0.89 RPS6KB1 (0.77) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9894820 0.89 RPS6KB1 (0.77) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9942122 0.89 RPS6KB1 (0.67) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9927829 0.89 RPS6KB1 (0.72) RPS6KB1AKT1PRKCBRPS6KA1
Hydrochloric Acid SCHEMBL16459034 0.88 RPS6KB1 (0.71) RPS6KB1AKT1PRKCBRPS6KA1

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