SCHEMBL4565856

SCHEMBL4565856

COc1cc(N2CCOCC2)ccc1Nc1cc(NCc2cc(F)c(F)cc2C(N)=O)c(C(F)(F)F)cn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.65
MAPK9 P45984 7/20 0.65
PTK2 Q05397 4/20 0.65
ULK1 O75385 1/20 0.50
MAPK8 P45983 1/20 0.49
EGFR P00533 1/20 0.48
ZAP70 P43403 1/20 0.48
FLT4 P35916 1/20 0.47
IGF1R P08069 1/20 0.47
STAT6 P42226 2/20 0.47
FGFR1 P11362 1/20 0.46

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
SCHEMBL4565857 0.87 MAPK10 (0.65) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL12886760 0.83 MAPK10 (0.66) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL1232326 0.83 MAPK10 (0.83) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL12886766 0.83 MAPK10 (0.62) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL2479353 0.81 MAPK10 (0.58) MAPK10MAPK9PTK2MAPK8ZAP70
SCHEMBL4432271 0.81 MAPK10 (0.64) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL15160609 0.81 MAPK10 (0.65) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL12901048 0.80 MAPK10 (0.71) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL4554864 0.80 MAPK10 (0.69) MAPK10MAPK9PTK2MAPK8EGFR
SCHEMBL18559458 0.79 MAPK10 (0.61) MAPK10MAPK9PTK2ULK1EGFR

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