SCHEMBL6046861

SCHEMBL6046861

[CH2]c1cc(F)c(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.82
KDR P35968 16/20 0.58
RET P07949 12/20 0.58
KIF5B P33176 11/20 0.58
FGFR1 P11362 3/20 0.56
FLT1 P17948 3/20 0.56
FLT4 P35916 3/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
FGFR3 P22607 1/20 0.56
AURKA O14965 1/20 0.54
ERBB2 P04626 1/20 0.54
INSR P06213 1/20 0.54
FBP1 P09467 1/20 0.54
PDGFRB P09619 1/20 0.54
CLK1 P49759 1/20 0.54
EPHB4 P54760 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
EPHB2 P29323 1/20 0.54

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
SCHEMBL6046871 0.85 EGFR (0.62) EGFRKDRRETKIF5BFGFR1
SCHEMBL3958826 0.83 EGFR (0.62) EGFRKDRRETKIF5BFGFR1
SCHEMBL14515606 0.81 KDR (0.72) EGFRKDRRETKIF5BFLT1
SCHEMBL30124192 0.81 EGFR (0.83) EGFRKDRRETKIF5BFLT4
SCHEMBL29679736 0.81 EGFR (0.83) EGFRKDRRETKIF5BFLT4
SCHEMBL8383 0.81 EGFR (0.83) EGFRKDRRETKIF5BFLT4
SCHEMBL17179538 0.80 EGFR (0.70) EGFRKDRRETKIF5BFGFR1
SCHEMBL16075710 0.80 EGFR (0.70) EGFRKDRRETKIF5BFGFR1
SCHEMBL202827 0.80 EGFR (0.73) EGFRKDRRETKIF5BFLT1
SCHEMBL14843536 0.80 EGFR (0.70) EGFRKDRRETKIF5BFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 WO disclosed