SCHEMBL690218

SCHEMBL690218

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.58
JAK1 P23458 4/20 0.45
TYK2 P29597 4/20 0.45
JAK2 O60674 3/20 0.45
MAPK1 P28482 3/20 0.43
MAPK3 P27361 2/20 0.43
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
JAK3 P52333 2/20 0.38
MAP4K4 O95819 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA1 Q15418 1/20 0.37
MT-CO2 P00403 4/20 0.37
GAA P10253 1/20 0.37
INSR P06213 1/20 0.37
MET P08581 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
SCHEMBL691756 0.93 PTK2 (0.59) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL691659 0.92 PTK2 (0.59) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL691054 0.91 PTK2 (0.61) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL691296 0.90 PTK2 (0.56) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL692967 0.90 PTK2 (0.73) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL690217 0.86 PTK2 (0.78) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL693380 0.85 PTK2 (0.59) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL691087 0.84 PTK2 (0.60) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL691570 0.82 PTK2 (0.56) PTK2JAK1TYK2JAK2MAPK1
SCHEMBL691652 0.82 PTK2 (0.57) PTK2JAK1TYK2JAK2MAPK1

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 claimed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO claimed