SCHEMBL5344917

SCHEMBL5344917

CCN(CCO)CCCCNC(=O)Nc1snc(OCc2c(F)cc(Cl)cc2F)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.48
EGFR P00533 4/20 0.48
FGFR1 P11362 3/20 0.48
ABL1 P00519 2/20 0.48
RET P07949 2/20 0.48
PDGFRB P09619 2/20 0.48
AURKA O14965 2/20 0.48
SRC P12931 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR4 P22455 2/20 0.48
FGFR3 P22607 2/20 0.48
AURKB Q96GD4 2/20 0.48
FLT1 P17948 2/20 0.48
PLK4 O00444 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
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
SCHEMBL378900 0.93 KDR (0.47) KDREGFRFGFR1ABL1RET
SCHEMBL378585 0.93 KDR (0.56) KDREGFRFGFR1ABL1RET
SCHEMBL3083938 0.91 KDR (0.56) KDREGFRFGFR1ABL1RET
SCHEMBL3096969 0.88 KDR (0.59) KDREGFRFGFR1ABL1RET
SCHEMBL378412 0.87 KDR (0.44) KDREGFRFGFR1ABL1RET
SCHEMBL378723 0.87 EGFR (0.41) KDREGFRFGFR1ABL1RET
SCHEMBL3093307 0.86 KDR (0.59) KDREGFRFGFR1ABL1RET
SCHEMBL3079700 0.86 KDR (0.57) KDREGFRFGFR1ABL1RET
SCHEMBL4850300 0.85 KDR (0.52) KDREGFRFGFR1ABL1RET
SCHEMBL7830884 0.84 KDR (0.47) KDREGFRFGFR1ABL1RET

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-1784183-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES Pfizer Products Incorporated (US) 2007-05-16 EP claimed
WO-2006026034-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-03-09 WO claimed