SCHEMBL4565379

SCHEMBL4565379

CCOc1ccnc2cc(-c3ccc(S(=O)(=O)C4CCC5(CC4)CC(C4CC4)C(=O)CN5)cc3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.34
SYK P43405 2/20 0.32
MET P08581 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.30
KCNH2 Q12809 2/20 0.30
ALK Q9UM73 2/20 0.30
RIPK3 Q9Y572 1/20 0.30
FASN P49327 1/20 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
SCHEMBL4565595 0.93 KCNH2 (0.34) IRAK4SYKMETPIK3C3KCNH2
SCHEMBL4565426 0.86 TGFBR1 (0.38) PIK3C3ALK
SCHEMBL4565577 0.76 SGK1 (0.46)
SCHEMBL4564364 0.76 HTR6 (0.36) FASN
SCHEMBL4564399 0.73 FASN (0.37) KCNH2FASN
SCHEMBL4565553 0.73 FGFR1 (0.37) SYK
SCHEMBL4565405 0.73 PTGER3 (0.34) FASN
SCHEMBL4541625 0.73 FASN (0.38) FASN
SCHEMBL4536541 0.72
SCHEMBL4561931 0.72 FASN (0.41) 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