SCHEMBL6477890

SCHEMBL6477890

COc1cc2c(Nc3ccc(Br)cc3F)ccnc2cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.58
EGFR P00533 6/20 0.58
RET P07949 2/20 0.58
KIF5B P33176 2/20 0.58
GAK O14976 4/20 0.54
FGFR1 P11362 4/20 0.53
FLT1 P17948 4/20 0.53
RAF1 P04049 2/20 0.52
BRAF P15056 2/20 0.52
EPHB6 O15197 2/20 0.51
RIPK2 O43353 2/20 0.51
ABL1 P00519 2/20 0.51
ACVR1 Q04771 2/20 0.51
COQ8A Q8NI60 2/20 0.51
NLK Q9UBE8 2/20 0.51
STK16 O75716 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
SRC P12931 3/20 0.49
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47

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
SCHEMBL1891633 0.86 FLT1 (0.70) KDREGFRGAKFGFR1FLT1
SCHEMBL27533397 0.86 RAF1 (0.54) KDREGFRGAKFGFR1FLT1
SCHEMBL156289 0.84 KDR (0.83) KDREGFRRETKIF5BGAK
Hydrochloric Acid SCHEMBL28007000 0.83 KDR (0.81) KDREGFRRETKIF5BGAK
SCHEMBL6436213 0.82 FLT1 (0.70) KDREGFRGAKFGFR1FLT1
SCHEMBL6433759 0.81 FLT1 (0.65) KDREGFRRETKIF5BGAK
SCHEMBL5241456 0.80 KDR (0.83) KDREGFRRETKIF5BGAK
Trifluoroacetic Acid SCHEMBL29372105 0.77 KDR (0.70) KDREGFRRETKIF5BGAK
Trifluoroacetic Acid SCHEMBL2089050 0.77 KDR (0.70) KDREGFRRETKIF5BGAK
SCHEMBL1781767 0.77 KDR (0.71) KDREGFRRETKIF5BGAK

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