SCHEMBL18013052

SCHEMBL18013052

Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OCCOC(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.52
FLT1 P17948 6/20 0.52
EGFR P00533 11/20 0.51
RET P07949 2/20 0.51
KIF5B P33176 2/20 0.51
FGFR1 P11362 3/20 0.50
FLT4 P35916 3/20 0.50
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49
FGFR3 P22607 1/20 0.49
ERBB2 P04626 3/20 0.48
EPHA2 P29317 2/20 0.48
EPHB4 P54760 2/20 0.48
EPHB2 P29323 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
SCHEMBL18012884 0.93 EGFR (0.53) KDRFLT1EGFRRETKIF5B
SCHEMBL17967491 0.92 KDR (0.61) KDRFLT1EGFRRETKIF5B
SCHEMBL18012088 0.88 KDR (0.66) KDRFLT1EGFRRETKIF5B
SCHEMBL18012077 0.88 KDR (0.66) KDRFLT1EGFRRETKIF5B
SCHEMBL18012880 0.87 ERBB2 (0.55) KDREGFRRETKIF5BERBB2
SCHEMBL19126094 0.87 KDR (0.52) KDRFLT1EGFRRETKIF5B
SCHEMBL17967489 0.84 EGFR (0.57) KDRFLT1EGFRRETFGFR1
SCHEMBL18012883 0.84 EGFR (0.71) KDREGFRFLT4ERBB2EPHB4
SCHEMBL19125349 0.83 KDR (0.49) KDRFLT1EGFRFGFR1FLT4
SCHEMBL18013036 0.82 ERBB2 (0.57) KDRFLT1EGFRRETFGFR1

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
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 WO disclosed