SCHEMBL18134024

SCHEMBL18134024

COc1cc(OC)c(F)c(C#Cc2cnc(Nc3c(C)cc(N4CCOCC4)cc3N)nc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.39
▸ FGFR4 P22455 4/20 0.39
▸ PIK3CA P42336 10/20 0.39
▸ PKMYT1 Q99640 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ INSR P06213 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ MTOR P42345 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
SCHEMBL18134032 0.88 FGFR1 (0.52) FGFR1FGFR4PIK3CAMTOR
SCHEMBL18131708 0.86 MAPT (0.39) FGFR1FGFR4PIK3CAPKMYT1
SCHEMBL18131695 0.83 FGFR4 (0.60) FGFR1FGFR4
SCHEMBL18134043 0.82 FGFR4 (0.57) FGFR1FGFR4
SCHEMBL18134023 0.77 FGFR4 (0.51) FGFR1FGFR4
SCHEMBL18131808 0.75 FGFR4 (0.51) FGFR1FGFR4KITFLT3INSR
SCHEMBL18131815 0.72 FGFR4 (0.75) FGFR1FGFR4
SCHEMBL18134162 0.71 FGFR4 (0.71) FGFR1FGFR4
SCHEMBL18131707 0.69 FGFR4 (0.56) FGFR1FGFR4
SCHEMBL18134167 0.68 FGFR4 (0.67) FGFR1FGFR4

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-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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