SCHEMBL690575

SCHEMBL690575

CCCn1nc(C)cc1Nc1cc(Nc2cc(F)ccc2C(=O)NOC)c(Cl)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.58
MAPK1 P28482 2/20 0.51
MAPK3 P27361 1/20 0.51
RPS6KA1 Q15418 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK14 Q16539 1/20 0.36
JAK1 P23458 8/20 0.35
TYK2 P29597 8/20 0.35
JAK2 O60674 5/20 0.35
PDE4D Q08499 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
JAK3 P52333 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAP4K4 O95819 1/20 0.34
GSK3B P49841 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL692012 0.93 PTK2 (0.58) PTK2MAPK1MAPK3RPS6KA1LMNA
SCHEMBL1292976 0.93 PTK2 (0.60) PTK2MAPK1MAPK3RPS6KA1MAPK14
SCHEMBL692967 0.89 PTK2 (0.73) PTK2MAPK1MAPK3JAK1TYK2
SCHEMBL691964 0.89 MAPK1 (0.63) PTK2MAPK1MAPK3RPS6KA1MAPK14
SCHEMBL691573 0.89 MAPK1 (0.50) PTK2MAPK1MAPK3RPS6KA1LMNA
SCHEMBL691543 0.87 PTK2 (0.60) PTK2MAPK1MAPK3RPS6KA1LMNA
SCHEMBL690574 0.85 PTK2 (0.80) PTK2MAPK1MAPK3RPS6KA1LMNA
SCHEMBL691711 0.84 PTK2 (0.51) PTK2MAPK1MAPK3MAPK14JAK1
SCHEMBL1293001 0.84 MAPK1 (0.61) PTK2MAPK1MAPK3RPS6KA1JAK1
SCHEMBL691390 0.84 PTK2 (0.46) PTK2MAPK1MAPK3RPS6KA1LMNA

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