SCHEMBL1078643

SCHEMBL1078643

CC(C)NC(=O)Oc1ccc2nc(-c3cc(-c4cnn(C)c4)cnc3N)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.55
MAP4K4 O95819 1/20 0.43
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
PDPK1 O15530 1/20 0.41
LRRK2 Q5S007 2/20 0.41
MET P08581 2/20 0.41
MAPK1 P28482 5/20 0.41
NPBWR1 P48145 1/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
GRK5 P34947 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL1078545 0.95 SLC2A1 (0.50) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL16390769 0.90 SLC2A1 (0.58) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL16390920 0.90 SLC2A1 (0.53) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL2682252 0.87 SLC2A1 (0.51) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL16390740 0.85 SLC2A1 (0.51) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL16390787 0.85 SLC2A1 (0.48) SLC2A1MAP4K4METGRK5
SCHEMBL16390901 0.84 SLC2A1 (0.49) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL2681696 0.83 SLC2A1 (0.59) SLC2A1CDK1CDK2MKNK1MKNK2
Trifluoroacetic Acid SCHEMBL2681709 0.82 MET (0.51) SLC2A1MAP4K4CDK1CDK2MKNK1
SCHEMBL1078038 0.81 MET (0.49) SLC2A1METMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP claimed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed