SCHEMBL12490339

SCHEMBL12490339

Nc1ccc(S(=O)(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4cc(Br)cnc43)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.67
AKT2 P31751 12/20 0.65
AKT3 Q9Y243 4/20 0.50

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
SCHEMBL2189239 0.95 AKT1 (0.72) AKT1AKT2AKT3
SCHEMBL2192537 0.94 AKT1 (0.66) AKT1AKT2AKT3
SCHEMBL2190968 0.94 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL2191349 0.91 AKT1 (0.62) AKT1AKT2AKT3
SCHEMBL2173590 0.91 AKT1 (0.62) AKT1AKT2AKT3
SCHEMBL2191050 0.91 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL2176672 0.90 AKT1 (0.68) AKT1AKT2AKT3
SCHEMBL2177003 0.90 AKT1 (0.67) AKT1AKT2AKT3
SCHEMBL2189218 0.90 AKT1 (0.67) AKT1AKT2AKT3
SCHEMBL2173566 0.89 AKT1 (0.63) 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
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed