SCHEMBL378854

SCHEMBL378854

Cc1cc(F)c(COc2nsc(NC(=O)NCCC3CCCN3C)c2OC(N)=O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.44
PDGFRB P09619 2/20 0.44
KDR P35968 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
EPHB6 O15197 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
FYN P06241 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
ROS1 P08922 1/20 0.44
BCR P11274 1/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL378951 0.93 LCK (0.41) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378539 0.92 LCK (0.44) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378752 0.92 PDGFRB (0.48) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378270 0.90 KDR (0.56) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378368 0.90 LCK (0.47) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378664 0.87 LCK (0.47) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378139 0.86 KDR (0.60) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378530 0.85 LCK (0.41) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378604 0.84 KDR (0.63) LCKPDGFRBKDRPLK4AURKA
SCHEMBL378286 0.84 LCK (0.44) LCKPDGFRBKDRPLK4AURKA

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