SCHEMBL5068341

SCHEMBL5068341

O=[C]c1cccc2cc(Oc3cc(Cl)ncn3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.44
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
KMO O15229 1/20 0.38
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 1/20 0.34
MET P08581 1/20 0.34
TEK Q02763 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL2709327 0.84 KMO (0.37) KDRFLT1FLT4KMO
SCHEMBL5068344 0.80 KDR (0.44) KDRFLT1FLT4KMORET
SCHEMBL7790214 0.79 HAO1 (0.47) KDRKMO
SCHEMBL273192 0.79 KDR (0.55) KDRFLT1FLT4KMORET
SCHEMBL272878 0.79 KDR (0.55) KDRFLT1FLT4KMORET
SCHEMBL2707079 0.78 KDR (0.54) KDRFLT1FLT4KMORET
SCHEMBL2707082 0.78 KDR (0.56) KDRFLT1FLT4RETPDGFRB
SCHEMBL2780055 0.73 ALDH1A1 (0.50) KDRKMOKITMET
SCHEMBL692108 0.71 CYP1A2 (0.53) KMOL3MBTL1MAP4K4
SCHEMBL21178150 0.71 CYP1A2 (0.50)

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-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed