SCHEMBL6206878

SCHEMBL6206878

CC(C)(C)c1cccc(-n2nccc2NC(=O)Nc2ccc(F)c(COc3cnccn3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.39
MAPK14 Q16539 9/20 0.37
BRAF P15056 3/20 0.37
KDR P35968 1/20 0.37
TNNI3K Q59H18 1/20 0.37
MAPK13 O15264 2/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
NTRK1 P04629 2/20 0.36
KCNJ6 P48051 3/20 0.36
KCNJ5 P48544 3/20 0.36
KCNJ3 P48549 3/20 0.36
DDR2 Q16832 2/20 0.36
MAPK9 P45984 1/20 0.36
GAA P10253 1/20 0.35
SRC P12931 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
FLT3 P36888 1/20 0.34

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
SCHEMBL6079684 0.81 MAPK13 (0.60) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL6078849 0.80 BRAF (0.48) BRAF
SCHEMBL6079909 0.78 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11FLT3
SCHEMBL6233788 0.78 FLT3 (0.53) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL6079289 0.78 MAPK14 (0.59) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL6079268 0.77 KCNJ6 (0.52) BRAFKCNJ6KCNJ5KCNJ3
SCHEMBL6080298 0.77 MAPK14 (0.56) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL6079886 0.76 RAB9A (0.51) NPC1MAPT
SCHEMBL6079633 0.76 KCNJ6 (0.64) NTRK1KCNJ6KCNJ5KCNJ3
SCHEMBL6078855 0.76 BRAF (0.54) MAPK14BRAFMAPK13MAPK12MAPK11

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-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed