SCHEMBL4657296

SCHEMBL4657296

CCc1c(C#N)cc2ccccc2c1[C]=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM5A P29375 2/20 0.34
GAA P10253 1/20 0.34
ANPEP P15144 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.33
HTR2A P28223 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4657300 0.78 L3MBTL1 (0.40) CLK1DYRK1ACA1CA2NCOA3
SCHEMBL5166643 0.77 CLK1 (0.40) CLK1DYRK1ACA1CA2NCOA3
SCHEMBL5169185 0.77 CLK1 (0.40) CLK1DYRK1ACA1CA2NCOA3
SCHEMBL4657181 0.77 ALDH1A1 (0.51) CLK1DYRK1ACA1CA2NCOA3
SCHEMBL5184087 0.76 CLK1 (0.39) CLK1DYRK1ACA1CA2NCOA3
SCHEMBL4031840 0.75 KDM4E (0.39) CLK1DYRK1ACA1CA2NCOA3
SCHEMBL27779196 0.74 MAPT (0.42) CLK1DYRK1ANCOA3KDM4EALDH1A1
SCHEMBL6603195 0.73 POLB (0.42) KDM4EALDH1A1KDM5AGAAMEN1
SCHEMBL1920795 0.72 ALDH1A1 (0.48) CA1CA2KDM4EALDH1A1MEN1
SCHEMBL3245559 0.72 CA1 (0.52) CA1CA2KDM4EALDH1A1GAA

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-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed