SCHEMBL12596117

SCHEMBL12596117

Nc1cc(CCOc2ccc(N)c3ccccc23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK14 Q16539 1/20 0.46
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
IDO1 P14902 1/20 0.42
GPR84 Q9NQS5 6/20 0.42
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 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
SCHEMBL31086650 0.87 IDO1 (0.44) HCKMAPK12MAPK14NOS3NOS1
SCHEMBL1979771 0.87 IDO1 (0.44) HCKMAPK12MAPK14NOS3NOS1
SCHEMBL367776 0.84 CYP11B1 (0.48) HCKMAPK12MAPK14IDO1GPR84
SCHEMBL12320309 0.83 GPR84 (0.39) HCKMAPK12MAPK14IDO1GPR84
SCHEMBL12634044 0.82 CYP11B1 (0.47) HCKMAPK12MAPK14GPR84
SCHEMBL2558223 0.81 CNR1 (0.40) HCKMAPK12MAPK14IDO1GPR84
SCHEMBL1979137 0.79 NR3C2 (0.51) HCKMAPK12MAPK14CNR1CNR2
SCHEMBL6175794 0.78 IDO1 (0.44) MAPK12MAPK14IDO1GPR84EP300
SCHEMBL12288408 0.78 HCK (0.55) HCKMAPK12MAPK14
SCHEMBL14289950 0.78 NOS3 (0.43) NOS3NOS1NOS2

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
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