SCHEMBL13617552

SCHEMBL13617552

C=C(OC(C)(C)C)N1CCC(COc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2OC)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.75
EGFR P00533 16/20 0.75
FGFR1 P11362 9/20 0.75
FLT1 P17948 9/20 0.75
FLT4 P35916 9/20 0.75
EPHA2 P29317 3/20 0.75
EPHB4 P54760 3/20 0.75
RET P07949 3/20 0.75
PDGFRB P09619 2/20 0.75
TEK Q02763 2/20 0.75
KIF5B P33176 2/20 0.75
BMPR1B O00238 1/20 0.75
PLK4 O00444 1/20 0.75
CIT O14578 1/20 0.75
GAK O14976 1/20 0.75
EPHB6 O15197 1/20 0.75
RIPK2 O43353 1/20 0.75
ROCK2 O75116 1/20 0.75
STK10 O94804 1/20 0.75
MAP4K4 O95819 1/20 0.75

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
SCHEMBL1614506 0.91 KDR (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL3152430 0.87 KDR (0.80) KDREGFRFGFR1FLT1FLT4
SCHEMBL1781194 0.86 KDR (0.67) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL28224661 0.86 EGFR (1.00) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL29352879 0.86 EGFR (1.00) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL9044 0.86 EGFR (1.00) KDREGFRFGFR1FLT1FLT4
SCHEMBL26359052 0.85 EGFR (0.85) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL4637084 0.85 EGFR (0.98) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL1614458 0.85 EGFR (1.00) KDREGFRFGFR1FLT1FLT4
SCHEMBL16085055 0.84 EGFR (0.84) KDREGFRFGFR1FLT1FLT4

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