SCHEMBL704871

SCHEMBL704871

CCn1nccc1Nc1cc(NCc2ccccc2C(N)=O)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.42
JAK2 O60674 12/20 0.42
JAK1 P23458 12/20 0.42
TYK2 P29597 12/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
CD38 P28907 1/20 0.40
PTK2 Q05397 1/20 0.40
MAPK8 P45983 1/20 0.39
MAP4K4 O95819 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL2309262 0.86 CD38 (0.40) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL704872 0.82 JAK3 (0.42) JAK3JAK2JAK1TYK2PTK2
SCHEMBL691660 0.79 MAPK3 (0.60) JAK2JAK1TYK2PTK2MAPK8
SCHEMBL1292972 0.79 PTK2 (0.64) JAK3JAK2JAK1TYK2PTK2
SCHEMBL691696 0.78 PTK2 (0.50) JAK3JAK2JAK1TYK2PTK2
SCHEMBL3474620 0.78 PTK2 (0.51) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL691691 0.76 CD38 (0.48) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL700925 0.73 JAK3 (0.42) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL29127270 0.73 JAK2 (0.42) JAK3JAK2JAK1TYK2MAP4K4
SCHEMBL691560 0.72 MAPK1 (0.48) JAK2JAK1TYK2PTK2MAPK8

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