SCHEMBL9995012

SCHEMBL9995012

O=C(O)Nc1ccc(Oc2ncnc3[nH]c(=O)cnc23)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCK P08631 17/20 0.59
MAPK14 Q16539 17/20 0.59
MAPK12 P53778 16/20 0.59
SRC P12931 16/20 0.51
BRAF P15056 3/20 0.51
KDR P35968 2/20 0.42

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
SCHEMBL15021980 0.87 HCK (0.57) HCKMAPK14MAPK12SRCBRAF
SCHEMBL2933845 0.85 HCK (0.65) HCKMAPK14MAPK12SRCBRAF
SCHEMBL9994902 0.82 HCK (0.47) HCKMAPK14MAPK12SRCBRAF
SCHEMBL15022843 0.81 MAPK12 (0.63) HCKMAPK14MAPK12SRCBRAF
SCHEMBL15034575 0.78 HCK (0.44) HCKMAPK14MAPK12SRCBRAF
SCHEMBL15040932 0.78 HCK (0.46) HCKMAPK14MAPK12SRCBRAF
SCHEMBL15021995 0.76 MAPK12 (1.00) HCKMAPK14MAPK12SRCBRAF
SCHEMBL20386669 0.76 MAPK14 (0.83) HCKMAPK14MAPK12SRCBRAF
SCHEMBL2931611 0.75 BRAF (0.66) HCKMAPK14MAPK12SRCBRAF
SCHEMBL3758499 0.74 HCK (0.62) HCKMAPK14MAPK12SRCBRAF

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-2582700-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN Respivert Limited (GB) 2013-04-24 EP disclosed
WO-2011158044-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2011-12-22 WO disclosed