SCHEMBL6977879

SCHEMBL6977879

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1OCCC1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
KDR P35968 9/20 0.46
EGFR P00533 6/20 0.46
FLT1 P17948 5/20 0.46
FLT4 P35916 5/20 0.46
FGFR1 P11362 3/20 0.46
RET P07949 2/20 0.46
MET P08581 2/20 0.46
PLK4 O00444 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
ERN1 O75460 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
ERBB2 P04626 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46

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
SCHEMBL7838826 0.85 KDR (0.49) TRPA1KDREGFRFLT1FLT4
SCHEMBL4424919 0.81 KDR (0.60) TRPA1KDREGFRFLT1FLT4
SCHEMBL4420738 0.80 KDR (0.66) TRPA1KDREGFRFLT1FLT4
SCHEMBL5492065 0.79 TRPA1 (0.60) TRPA1KDREGFRFLT1FLT4
SCHEMBL4423983 0.79 TRPA1 (0.60) TRPA1KDREGFRFLT1FLT4
SCHEMBL4419529 0.78 KDR (0.60) TRPA1KDREGFRFLT1FLT4
SCHEMBL4985294 0.77 ENPP1 (0.63) KDREGFRFLT1FLT4FGFR1
SCHEMBL6983690 0.77 ENPP1 (0.46) KDREGFRFLT1FLT4FGFR1
SCHEMBL7625312 0.77 ENPP1 (0.46) KDREGFRFLT1FLT4FGFR1
SCHEMBL4421705 0.77 EGFR (0.55) TRPA1KDREGFRFLT1FLT4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed