SCHEMBL378523

SCHEMBL378523

NC(=O)Oc1c(OCc2c(F)cc(Cl)c(F)c2F)nsc1NC(=O)NCCCCn1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
YES1 P07947 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
MET P08581 1/20 0.46
ROS1 P08922 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 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
SCHEMBL378606 0.92 PLK4 (0.42) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL378446 0.92 PLK4 (0.49) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL378500 0.90 PLK4 (0.58) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL3083306 0.87 PLK4 (0.55) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL378409 0.86 MAPK9 (0.48) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL378861 0.86 KDR (0.63) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL7832668 0.85 ALOX15 (0.47) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL398168 0.84 PLK4 (0.46) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL378178 0.81 KDR (0.62) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL378442 0.81 AURKA (0.48) PLK4AURKAEPHB6RIPK2STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP claimed
EP-1545519-B1 COMBINATION THERAPY FOR HYPERPROLIFERATIVE DISEASES PFIZER (US) 2011-03-23 EP claimed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP claimed