SCHEMBL4565857

SCHEMBL4565857

COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2c(C(N)=O)cc(F)c(F)c2C)c(C(F)(F)F)cn1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.65
MAPK9 P45984 7/20 0.65
PTK2 Q05397 3/20 0.65
ULK1 O75385 1/20 0.49
MAPK8 P45983 1/20 0.48
EGFR P00533 3/20 0.47
ALK Q9UM73 1/20 0.46
IGF1R P08069 1/20 0.46
ZAP70 P43403 1/20 0.46
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
SCHEMBL4565856 0.87 MAPK10 (0.65) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL1232326 0.82 MAPK10 (0.83) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL15160609 0.81 MAPK10 (0.65) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL12901048 0.81 MAPK10 (0.71) MAPK10MAPK9PTK2ULK1EGFR
SCHEMBL47302 0.80 MAPK10 (0.84) MAPK10MAPK9PTK2ULK1MAPK8
Vs-4718 SCHEMBL29478885 0.79 MAPK10 (1.00) MAPK10MAPK9PTK2ULK1MAPK8
Vs-4718 SCHEMBL47360 0.79 MAPK10 (1.00) MAPK10MAPK9PTK2ULK1MAPK8
Vs-4718 SCHEMBL29381276 0.79 MAPK10 (1.00) MAPK10MAPK9PTK2ULK1MAPK8
Vs-4718 SCHEMBL29493098 0.79 MAPK10 (1.00) MAPK10MAPK9PTK2ULK1MAPK8
SCHEMBL1230824 0.79 MAPK10 (0.78) 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