SCHEMBL3396182

SCHEMBL3396182

CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc2cc(Br)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 10/20 0.57
DYRK1A Q13627 4/20 0.57
LMNA P02545 2/20 0.56
CLK2 P49760 2/20 0.55
DYRK1B Q9Y463 2/20 0.53
CLK4 Q9HAZ1 1/20 0.53
PDK1 Q15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PPARA Q07869 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3392201 0.79 SLC6A4 (0.38) LMNAHDAC6MEN1KMT2A
SCHEMBL14562861 0.72 SERPINE1 (0.53) PPARAMEN1KMT2A
SCHEMBL5538015 0.70 LSS (0.51) PDK1MEN1KMT2A
SCHEMBL27629442 0.70 EPHX1 (0.50) PDK1MEN1KMT2A
SCHEMBL3423840 0.69 SLC6A4 (0.50)
SCHEMBL13070333 0.69 SLC6A4 (0.50)
SCHEMBL15697592 0.69 CLK1 (0.57) CLK1DYRK1ACLK2DYRK1BCLK4
SCHEMBL30805945 0.69 CLK1 (0.57) CLK1DYRK1ACLK2DYRK1BCLK4
SCHEMBL18003474 0.69 PTPN2 (0.54) CLK1DYRK1ACLK2DYRK1BPPARA
SCHEMBL2947888 0.69 LMNA (0.60) CLK1DYRK1ALMNADYRK1BL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed