SCHEMBL17554668

SCHEMBL17554668

CN(Cc1ncccc1CCc1ccnc(Nc2ccc3c(c2)CC(=O)N3)n1)[SH](=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 17/20 0.54
PTK2B Q14289 10/20 0.54
AURKA O14965 2/20 0.46
BCL6 P41182 2/20 0.46
PLK4 O00444 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
STK16 O75716 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKCG P05129 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CDK1 P06493 1/20 0.46

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
SCHEMBL10125447 0.83 PTK2 (0.58) PTK2PTK2BAURKABCL6PLK4
SCHEMBL669481 0.83 PTK2 (0.58) PTK2PTK2BAURKABCL6PLK4
SCHEMBL669471 0.82 PTK2 (0.76) PTK2PTK2BAURKABCL6PLK4
SCHEMBL670544 0.79 PTK2 (0.63) PTK2PTK2BAURKABCL6PLK4
SCHEMBL29157673 0.79 PTK2B (0.72) PTK2PTK2BAURKABCL6PLK4
SCHEMBL670533 0.78 PTK2 (0.53) PTK2PTK2BAURKABCL6PLK4
SCHEMBL670549 0.77 PTK2 (0.49) PTK2PTK2BAURKABCL6PLK4
SCHEMBL670915 0.77 PTK2 (0.50) PTK2PTK2BAURKABCL6PLK4
SCHEMBL17554667 0.75 KDM4E (0.39) JAK2CDK1CDK2FLT3MAPK9
SCHEMBL670216 0.75 PTK2 (0.65) PTK2PTK2BAURKABCL6PLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP claimed