SCHEMBL692967

SCHEMBL692967

CCCn1nc(C)cc1Nc1cc(Nc2ccccc2C(=O)NOC)c(Cl)cn1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.73
MAPK10 P53779 3/20 0.43
MAPK9 P45984 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPK3 P27361 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPK8 P45983 2/20 0.42
JAK2 O60674 10/20 0.39
JAK1 P23458 10/20 0.39
TYK2 P29597 10/20 0.39
JAK3 P52333 8/20 0.39
MAP4K4 O95819 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL690300 0.93 PTK2 (0.75) PTK2MAPK10MAPK9PTGS2MAPK3
SCHEMBL691543 0.91 PTK2 (0.60) PTK2MAPK10MAPK9MAPK3MAPK1
SCHEMBL691659 0.90 PTK2 (0.59) PTK2MAPK10MAPK9MAPK3MAPK1
SCHEMBL690218 0.90 PTK2 (0.58) PTK2MAPK10MAPK9PTGS2MAPK3
SCHEMBL692012 0.89 PTK2 (0.58) PTK2MAPK10MAPK9MAPK3MAPK1
SCHEMBL690575 0.89 PTK2 (0.58) PTK2MAPK10MAPK9MAPK3MAPK1
SCHEMBL691296 0.88 PTK2 (0.56) PTK2MAPK10MAPK9PTGS2MAPK3
SCHEMBL691670 0.88 PTK2 (0.79) PTK2MAPK10MAPK9PTGS2MAPK3
SCHEMBL691625 0.85 PTK2 (0.64) PTK2MAPK10MAPK9PTGS2MAPK3
Gsk-2256098 SCHEMBL29361345 0.84 PTK2 (1.00) PTK2MAPK10MAPK9PTGS2MAPK3

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-2421537-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2012-02-29 EP disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed