SCHEMBL4565595

SCHEMBL4565595

COc1ccnc2cc(-c3ccc(S(=O)(=O)C4CCC5(CC4)CC(C4CC4)C(=O)CN5)cc3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
ALK Q9UM73 2/20 0.34
SYK P43405 12/20 0.34
PIK3C3 Q8NEB9 1/20 0.32
RIPK3 Q9Y572 1/20 0.31
FASN P49327 1/20 0.31
FLT3 P36888 1/20 0.31
AURKB Q96GD4 1/20 0.31
MAP4K4 O95819 1/20 0.31
TGFBR1 P36897 1/20 0.31
MET P08581 1/20 0.31
SCN9A Q15858 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL4565379 0.93 IRAK4 (0.34) KCNH2ALKSYKPIK3C3RIPK3
SCHEMBL4565426 0.88 TGFBR1 (0.38) ALKPIK3C3MAP4K4TGFBR1
SCHEMBL4564364 0.82 HTR6 (0.36) FASN
SCHEMBL4565577 0.78 SGK1 (0.46)
SCHEMBL4565605 0.75 MAPK14 (0.37) FASN
SCHEMBL4564596 0.75 CD74 (0.34)
SCHEMBL4564399 0.75 FASN (0.37) KCNH2FASN
SCHEMBL4565405 0.75 PTGER3 (0.34) FASN
SCHEMBL4565553 0.75 FGFR1 (0.37) SYKFLT3AURKBMAP4K4
SCHEMBL4541625 0.74 FASN (0.38) FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed