SCHEMBL16087435

SCHEMBL16087435

Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CN(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.69
AKT2 P31751 13/20 0.69
AKT3 Q9Y243 4/20 0.52

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
SCHEMBL27232039 0.91 AKT1 (0.68) AKT1AKT2AKT3
SCHEMBL2192796 0.82 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL16087427 0.81 AKT1 (0.63) AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL2173899 0.81 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL2178315 0.80 AKT1 (0.66) AKT1AKT2AKT3
SCHEMBL2176351 0.80 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL2193736 0.80 AKT1 (0.83) AKT1AKT2AKT3
SCHEMBL2173820 0.80 AKT1 (0.80) AKT1AKT2AKT3
SCHEMBL16087364 0.80 AKT1 (0.71) AKT1AKT2AKT3
SCHEMBL2194106 0.79 AKT1 (0.81) AKT1AKT2AKT3

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-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed