SCHEMBL4444383

SCHEMBL4444383

Cc1nccc(Nc2cc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.51
JAK3 P52333 2/20 0.51
PTK2B Q14289 10/20 0.50
KIF11 P52732 3/20 0.45
PTK2 Q05397 11/20 0.44
GABRA1 P14867 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
ULK1 O75385 2/20 0.43
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
STK16 O75716 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42

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
SCHEMBL4553315 0.81 IRAK4 (0.56) IRAK4JAK3PTK2BKIF11PTK2
SCHEMBL1231905 0.80 MAPK9 (0.57) IRAK4JAK3PTK2BPTK2MAPK9
SCHEMBL1231948 0.79 PTK2B (0.53) IRAK4JAK3PTK2BKIF11PTK2
SCHEMBL1231919 0.79 MAPK9 (0.56) IRAK4JAK3PTK2BKIF11PTK2
SCHEMBL1232869 0.79 MAPK9 (0.70) IRAK4JAK3PTK2BPTK2MAPK9
SCHEMBL1231941 0.78 MAPK9 (0.55) IRAK4JAK3PTK2BPTK2MAPK9
SCHEMBL1230908 0.78 PTK2 (0.58) IRAK4JAK3PTK2BKIF11PTK2
SCHEMBL1231892 0.78 MAPK9 (0.52) IRAK4JAK3PTK2BKIF11PTK2
SCHEMBL1232833 0.77 PTK2B (0.53) IRAK4JAK3PTK2BKIF11PTK2
SCHEMBL1231772 0.77 MAPK9 (0.56) IRAK4JAK3PTK2BPTK2MAPK9

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