SCHEMBL2174221

SCHEMBL2174221

Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.86
AKT2 P31751 14/20 0.86
AKT3 Q9Y243 7/20 0.86

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
SCHEMBL30802392 0.94 AKT1 (0.87) AKT1AKT2AKT3
SCHEMBL2176661 0.93 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL31455654 0.90 AKT1 (0.88) AKT1AKT2AKT3
SCHEMBL2190453 0.89 AKT1 (0.74) AKT1AKT2AKT3
SCHEMBL31420297 0.89 AKT1 (0.74) AKT1AKT2AKT3
SCHEMBL31455829 0.89 AKT1 (0.86) AKT1AKT2AKT3
SCHEMBL2190884 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL31455740 0.88 AKT1 (0.85) AKT1AKT2AKT3
SCHEMBL2177082 0.88 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL2175106 0.87 AKT1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed