SCHEMBL1979511

SCHEMBL1979511

CC(C)(COc1ccc(N)c2ccccc12)c1ccnc(NC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.46
NR3C2 P08235 2/20 0.42
HCK P08631 8/20 0.40
MAPK14 Q16539 8/20 0.40
MAPK12 P53778 7/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.37
GAK O14976 1/20 0.36
HTR2B P41595 1/20 0.36
DAPK1 P53355 1/20 0.36
KCNH2 Q12809 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MYLK2 Q9H1R3 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
BMP2K Q9NSY1 1/20 0.36

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
SCHEMBL12540671 0.89 AAK1 (0.48) AAK1NR3C2GAKHTR2BDAPK1
SCHEMBL1979750 0.84 RAB9A (0.46) AAK1NR3C2HCKMAPK14MAPK12
SCHEMBL1979745 0.84 RAB9A (0.46) AAK1NR3C2HCKMAPK14MAPK12
SCHEMBL2311222 0.81 NR3C2 (0.49) AAK1NR3C2HCKMAPK14MAPK12
SCHEMBL2471852 0.80 AAK1 (0.38) AAK1NR3C2HCKMAPK14MAPK12
SCHEMBL1979137 0.78 NR3C2 (0.51) NR3C2HCKMAPK14MAPK12
SCHEMBL1980300 0.77 NR3C2 (0.43) AAK1NR3C2HCKMAPK14MAPK12
SCHEMBL13331029 0.77 GCK (0.49) HCKMAPK14MAPK12SRC
SCHEMBL1981716 0.75 NR3C2 (0.50) AAK1NR3C2HCKMAPK14MAPK12
SCHEMBL2531112 0.75 MAPK14 (0.73) HCKMAPK14MAPK12SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509595-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION Respivert Limited (GB) 2012-10-17 EP disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed