SCHEMBL4554864

SCHEMBL4554864

COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2ccccc2C(N)=O)c(Cl)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.69
MAPK9 P45984 7/20 0.69
MAPK8 P45983 3/20 0.65
PTK2 Q05397 4/20 0.56
INSR P06213 3/20 0.56
ALK Q9UM73 3/20 0.56
LRRK2 Q5S007 3/20 0.56
EGFR P00533 2/20 0.56
IGF1R P08069 2/20 0.56
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
DCLK1 O15075 1/20 0.56
PDPK1 O15530 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
JAK2 O60674 1/20 0.56
PRKD3 O94806 1/20 0.56
PAK4 O96013 1/20 0.56

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
SCHEMBL3427285 0.89 MAPK10 (0.61) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL4554865 0.84 MAPK10 (0.69) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL3400844 0.83 MAPK10 (0.85) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL3775588 0.83 MAPK10 (0.86) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL1232888 0.82 MAPK10 (1.00) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL3767760 0.80 MAPK10 (0.80) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL4565856 0.80 MAPK10 (0.65) MAPK10MAPK9MAPK8PTK2EGFR
SCHEMBL2472290 0.80 STAT6 (0.72) MAPK10MAPK9STAT6
SCHEMBL3781239 0.80 MAPK10 (0.79) MAPK10MAPK9MAPK8PTK2INSR
SCHEMBL2479353 0.79 MAPK10 (0.58) MAPK10MAPK9MAPK8PTK2IGF1R

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