SCHEMBL4553315

SCHEMBL4553315

Cc1cccc(C(N)=O)c1Nc1cc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.56
JAK3 P52333 1/20 0.56
PTK2B Q14289 7/20 0.49
MAPK10 P53779 6/20 0.46
MAPK9 P45984 5/20 0.46
KIF11 P52732 1/20 0.46
SYK P43405 1/20 0.46
PTK2 Q05397 8/20 0.45
ULK1 O75385 2/20 0.44

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
SCHEMBL1232869 0.81 MAPK9 (0.70) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL4444383 0.81 IRAK4 (0.51) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1231948 0.79 PTK2B (0.53) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1232318 0.79 MAPK9 (0.59) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1231772 0.78 MAPK9 (0.56) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1230908 0.77 PTK2 (0.58) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1231919 0.77 MAPK9 (0.56) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL5501767 0.77 PTK2 (0.67) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1231941 0.76 MAPK9 (0.55) IRAK4JAK3PTK2BMAPK10MAPK9
SCHEMBL1231905 0.76 MAPK9 (0.57) IRAK4JAK3PTK2BMAPK10MAPK9

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-2134689-A2 INHIBITORS OF FOCAL ADHESION KINASE The Scripps Research Institute (US) 2009-12-23 EP disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO disclosed