SCHEMBL5740641

SCHEMBL5740641

CCCc1ccc(NC(=O)c2cccc3cc(Oc4ncnc5[nH]ccc45)ccc23)cc1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.70
MAPK14 Q16539 2/20 0.46
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
MET P08581 6/20 0.45
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
AURKA O14965 3/20 0.44
TEK Q02763 3/20 0.44
AURKB Q96GD4 3/20 0.44
MAP3K7 O43318 1/20 0.43
MAP4K2 Q12851 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL4548913 0.86 KDR (0.83) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548918 0.85 KDR (0.72) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548921 0.85 KDR (0.79) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548939 0.84 KDR (0.77) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548914 0.84 KDR (0.83) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548930 0.83 KDR (0.69) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548912 0.83 KDR (0.84) KDRMAPK14BRAFTNNI3KFLT1
SCHEMBL4548917 0.82 KDR (0.75) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4812261 0.82 KDR (1.00) KDRMAPK14BRAFTNNI3KMET
SCHEMBL4548925 0.82 KDR (0.82) KDRMAPK14BRAFTNNI3KMET

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-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed