SCHEMBL6445835

SCHEMBL6445835

CNCCCNC(=O)Nc1snc(OCc2c(F)cc(C)c(F)c2F)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.48
PDGFRB P09619 7/20 0.48
FLT1 P17948 4/20 0.48
ABL1 P00519 2/20 0.48
FYN P06241 2/20 0.48
SRC P12931 2/20 0.48
EPHA2 P29317 2/20 0.48
MAPK9 P45984 2/20 0.48
MAP3K1 Q13233 2/20 0.48
MAPK14 Q16539 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
EPHB6 O15197 1/20 0.48
RIPK2 O43353 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL378159 0.92 KDR (0.57) KDRPDGFRBFLT1ABL1FYN
SCHEMBL377912 0.92 KDR (0.47) KDRPDGFRBFLT1ABL1FYN
SCHEMBL6444237 0.87 KDR (0.65) KDRPDGFRBFLT1ABL1FYN
SCHEMBL7830884 0.87 KDR (0.47) KDRPDGFRBFLT1ABL1FYN
SCHEMBL7827254 0.87 KDR (0.64) KDRPDGFRBFLT1ABL1FYN
SCHEMBL5352399 0.86 KDR (0.68) KDRPDGFRBFLT1ABL1FYN
SCHEMBL378513 0.85 KDR (0.45) KDRPDGFRBFLT1ABL1FYN
SCHEMBL378418 0.85 KDR (0.41) KDRPDGFRBFLT1ABL1FYN
SCHEMBL3071804 0.85 KDR (0.59) KDRPDGFRBFLT1ABL1FYN
SCHEMBL3091110 0.84 KDR (0.57) KDRPDGFRBFLT1ABL1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545519-A1 COMBINATION THERAPY FOR HYPERPROLIFERATIVE DISEASES Pfizer Products Inc. (US) 2005-06-29 EP claimed
WO-2004017964-A1 COMBINATION THERAPY FOR HYPERPROLIFERATIVE DISEASES PFIZER PRODUCTS INC. (US) 2004-03-04 WO claimed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP claimed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP disclosed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed