SCHEMBL6477291

SCHEMBL6477291

O=C1CCCN1CCOc1ccc2c(OCNc3ccc(Br)cc3F)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
FLT1 P17948 7/20 0.40
FLT4 P35916 7/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDK2 Q15119 2/20 0.38
EGFR P00533 10/20 0.37
FGFR1 P11362 6/20 0.37
EGLN2 Q96KS0 1/20 0.37
ITK Q08881 2/20 0.37
RET P07949 2/20 0.36
PDGFRB P09619 2/20 0.36
FGFR2 P21802 2/20 0.36
FGFR4 P22455 2/20 0.36
FGFR3 P22607 2/20 0.36
BMPR1B O00238 1/20 0.36

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
Hydrochloric Acid SCHEMBL6477543 0.80 KDR (0.43) KDRFLT1FLT4EGFRFGFR1
SCHEMBL5411249 0.78 KDR (0.62) KDRFLT1FLT4EGFRFGFR1
Hydrochloric Acid SCHEMBL6462102 0.77 KDR (0.61) KDRFLT1FLT4EGFRFGFR1
SCHEMBL6477298 0.76 KDR (0.41) KDRCCNCCDK8FLT1FLT4
Hydrochloric Acid SCHEMBL6478901 0.75 KDR (0.49) KDREGFRRETPDGFRBABL1
SCHEMBL1469755 0.74 KDR (0.68) KDRFLT1FLT4EGFRFGFR1
Hydrochloric Acid SCHEMBL1467375 0.74 KDR (0.69) KDRFLT1FLT4EGFRFGFR1
SCHEMBL6519234 0.73 FLT1 (0.55) KDRFLT1FLT4EGFRFGFR1
SCHEMBL6477340 0.72 KDR (0.55) KDRFLT1FLT4EGFRFGFR1
SCHEMBL4094159 0.71 POLB (0.57) CCNCCDK8POLBPDK2SLC6A4

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
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed