SCHEMBL4022786

SCHEMBL4022786

O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nccc(N2CCCCC2)c1S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
KDR P35968 4/20 0.49
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
BRAF P15056 3/20 0.47
MAPK14 Q16539 2/20 0.47
TNNI3K Q59H18 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47
ROS1 P08922 1/20 0.47
SRC P12931 1/20 0.47
RPS6KB1 P23443 1/20 0.47

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
SCHEMBL2238152 0.82 TLR8 (0.61) KDRTLR8TLR7BRAFMAPK14
SCHEMBL2240532 0.82 KDR (0.54) PDGFRBKDRTLR8TLR7BRAF
SCHEMBL4023504 0.82 GAA (0.46) PDGFRBKDRTLR8TLR7MAPK14
SCHEMBL4027172 0.81 GAA (0.47) PDGFRBKDRTLR8TLR7MAPK14
SCHEMBL13849004 0.78 KDR (0.52) PDGFRBKDRTLR8TLR7BRAF
SCHEMBL14284697 0.77 TLR8 (0.58) KDRTLR8TLR7BRAFMAPK14
SCHEMBL2355329 0.77 KDR (0.52) KDRTLR8TLR7BRAFMAPK14
SCHEMBL5583621 0.76 TLR7 (0.57) KDRTLR8TLR7BRAFMAPK14
SCHEMBL14284392 0.76 KDR (0.60) KDRTLR8TLR7BRAFMAPK14
SCHEMBL5583862 0.74 KDR (0.55) KDRTLR8TLR7BRAFMAPK14

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-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP claimed
EP-1404666-B1 4-SUBSTITUTED-PICOLINIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-05-27 EP disclosed