SCHEMBL16433804

SCHEMBL16433804

C/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2nc3cc4nc5c(nc4cc3nc21)-c1ccc(C(F)(F)F)cc1C5=C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31
NLRP3 Q96P20 1/20 0.30
DYRK1A Q13627 2/20 0.30

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 0.93 KDM4E (0.44) KDM4ECTSKCTSSNLRP3
SCHEMBL1755017 0.93 KDM4E (0.44) KDM4ECTSKCTSSNLRP3
SCHEMBL2756300 0.88 KDM4E (0.39) KDM4ECTSKCTSSNLRP3
SCHEMBL2756309 0.88 KDM4E (0.39) KDM4ECTSKCTSSNLRP3
SCHEMBL16002415 0.86 KDM4E (0.37) KDM4ECTSKCTSSNLRP3
SCHEMBL20169148 0.85 KDM4E (0.38) KDM4E
SCHEMBL16002368 0.83 KIF11 (0.38) KDM4ECTSKCTSS
SCHEMBL13207420 0.83 KIF11 (0.38) KDM4ECTSKCTSS
SCHEMBL16433753 0.82 CTSS (0.39) CTSKCTSS
SCHEMBL2756385 0.81 USP8 (0.37) KDM4ECTSKCTSSNLRP3

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
EP-2833429-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Sony Corporation (JP) 2015-02-04 EP disclosed