SCHEMBL700925

SCHEMBL700925

CCn1nc(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.42
JAK2 O60674 6/20 0.42
JAK1 P23458 6/20 0.42
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
GAA P10253 1/20 0.39
TYK2 P29597 4/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
PTK2 Q05397 2/20 0.37
CD38 P28907 4/20 0.36
KDM4C Q9H3R0 1/20 0.35
MAP4K4 O95819 1/20 0.35
GSK3B P49841 1/20 0.35
FLT4 P35916 1/20 0.34

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
SCHEMBL700926 0.85 GAA (0.37) JAK3JAK2JAK1GAATYK2
SCHEMBL692026 0.81 PTK2 (0.45) JAK2JAK1GAATYK2PTK2
SCHEMBL690617 0.81 PTK2 (0.57) JAK3JAK2JAK1GAATYK2
SCHEMBL2309262 0.77 CD38 (0.40) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL704871 0.73 JAK3 (0.42) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL1323795 0.73 MAPK3 (0.56) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL691652 0.69 PTK2 (0.57) JAK3JAK2JAK1GAATYK2
SCHEMBL690303 0.69 MAPK3 (0.56) JAK2JAK1TYK2PTK2
SCHEMBL690657 0.69 PTK2 (0.59) JAK3JAK2JAK1TYK2PTK2
SCHEMBL691087 0.68 PTK2 (0.60) JAK2JAK1GAATYK2PTK2

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