SCHEMBL13617590

SCHEMBL13617590

CC(C)(C)OC(=O)N1CCC(COc2ccc3c(Nc4ccc(Br)cc4F)ncnc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.65
EGFR P00533 13/20 0.59
RET P07949 2/20 0.57
FGFR1 P11362 3/20 0.56
FLT1 P17948 3/20 0.56
FLT4 P35916 3/20 0.56
PDGFRB P09619 2/20 0.56
TEK Q02763 2/20 0.56
EPHA2 P29317 2/20 0.56
EPHB4 P54760 2/20 0.56
BMPR1B O00238 1/20 0.56
PLK4 O00444 1/20 0.56
CIT O14578 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
RIPK2 O43353 1/20 0.56
ROCK2 O75116 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56

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
SCHEMBL6461603 0.94 KDR (0.58) KDREGFRRETFGFR1FLT1
SCHEMBL6461611 0.88 KDR (0.51) KDREGFRRETFGFR1FLT1
SCHEMBL1614506 0.88 KDR (0.75) KDREGFRRETFGFR1FLT1
SCHEMBL13617346 0.86 KDR (0.61) KDREGFRRETFGFR1FLT1
SCHEMBL1781194 0.86 KDR (0.67) KDREGFRRETFGFR1FLT1
SCHEMBL12604713 0.83 RET (0.63) KDREGFRRETFGFR1FLT1
SCHEMBL1781457 0.81 KDR (0.58) KDREGFRRETFGFR1FLT1
SCHEMBL2055590 0.80 KDR (0.75) KDREGFRRETFGFR1FLT1
SCHEMBL16596259 0.79 DNMT1 (0.59) KDRFLT1FLT4PDGFRBPDGFRA
SCHEMBL13617552 0.79 KDR (0.75) KDREGFRRETFGFR1FLT1

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-1943240-B1 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2009-11-11 EP disclosed