SCHEMBL13933293

SCHEMBL13933293

CC(=O)N1[C@H](C)CN(c2cccc(C3CNc4ncc(C)cc43)n2)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 5/20 0.39
SORD Q00796 3/20 0.35
HSD11B1 P28845 1/20 0.35
WNT3A P56704 2/20 0.33
PIK3CD O00329 4/20 0.32
HCAR2 Q8TDS4 1/20 0.31
SLC6A7 Q99884 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
SCHEMBL8987971 0.90 EIF2AK4 (0.40) EIF2AK4SORDHSD11B1WNT3APIK3CD
SCHEMBL8985979 0.89 EIF2AK4 (0.38) EIF2AK4SORDHSD11B1PIK3CD
SCHEMBL8987864 0.87 EIF2AK4 (0.38) EIF2AK4SORDHSD11B1SLC6A7
SCHEMBL12341821 0.87 EIF2AK4 (0.37) EIF2AK4SORDHSD11B1
SCHEMBL8990365 0.85 EIF2AK4 (0.36) EIF2AK4SORDHSD11B1WNT3AHCAR2
SCHEMBL8988012 0.84 JAK3 (0.38) EIF2AK4WNT3A
SCHEMBL12341823 0.83 EIF2AK4 (0.34) EIF2AK4SORDHSD11B1
SCHEMBL8988167 0.81 EIF2AK4 (0.34) EIF2AK4SORDWNT3A
SCHEMBL8990162 0.81 TSHR (0.38) EIF2AK4WNT3A
SCHEMBL8987784 0.75 EIF2AK4 (0.38) EIF2AK4SORDHSD11B1HCAR2SLC6A7

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
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 US disclosed