SCHEMBL20169148

SCHEMBL20169148

N#CC(C#N)=C1c2cc(C(F)(F)F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccc(C(F)(F)F)cc1C5=C(C#N)C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL1755014 0.92 KDM4E (0.44) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL1755017 0.92 KDM4E (0.44) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL16002415 0.85 KDM4E (0.37) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL2756309 0.85 KDM4E (0.39) KDM4EMAPT
SCHEMBL16433804 0.85 KDM4E (0.39) KDM4E
SCHEMBL2756300 0.85 KDM4E (0.39) KDM4EMAPT
SCHEMBL20169152 0.84 USP8 (0.39) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL20169150 0.84 USP8 (0.39) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL16002368 0.82 KIF11 (0.38) KDM4E
SCHEMBL13207420 0.82 KIF11 (0.38) KDM4E

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-9978975-B2 Organic electroluminescence device JOLED INC (JP) 2018-05-22 US disclosed