SCHEMBL704872

SCHEMBL704872

CCn1nccc1Nc1cc(Nc2c(C)cccc2C(N)=O)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.42
JAK1 P23458 12/20 0.42
JAK2 O60674 11/20 0.42
TYK2 P29597 11/20 0.42
PTK2 Q05397 1/20 0.41
MAP4K4 O95819 1/20 0.41
GSK3B P49841 1/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
CLCN2 P51788 1/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 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
SCHEMBL2309272 0.86 PTK2 (0.41) JAK3JAK1JAK2TYK2PTK2
SCHEMBL704871 0.82 JAK3 (0.42) JAK3JAK1JAK2TYK2PTK2
SCHEMBL691660 0.78 MAPK3 (0.60) JAK1JAK2TYK2PTK2MAPK8
SCHEMBL1292972 0.78 PTK2 (0.64) JAK3JAK1JAK2TYK2PTK2
SCHEMBL691696 0.77 PTK2 (0.50) JAK3JAK1JAK2TYK2PTK2
SCHEMBL21587937 0.75 IGF1R (0.37) JAK1JAK2TYK2MAPK14MAPK3
SCHEMBL691689 0.75 MAPK1 (0.47) JAK1JAK2TYK2MAPK10MAPK3
SCHEMBL700926 0.74 GAA (0.37) JAK3JAK1JAK2TYK2PTK2
SCHEMBL691560 0.74 MAPK1 (0.48) JAK1JAK2TYK2PTK2MAPK8
SCHEMBL29127270 0.73 JAK2 (0.42) JAK3JAK1JAK2TYK2MAP4K4

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