SCHEMBL2373988

SCHEMBL2373988

CC(C)COC(=O)N1CCc2c1ccc(-c1cn(C)c3ncnc(N)c13)c2F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 19/20 0.64
RIPK1 Q13546 5/20 0.64
CYP3A4 P08684 3/20 0.64
EIF2AK2 P19525 3/20 0.64
EIF2AK1 Q9BQI3 3/20 0.64
CYP2C9 P11712 2/20 0.64
EIF2AK4 Q9P2K8 2/20 0.64
CYP2C8 P10632 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL2375293 0.90 EIF2AK3 (0.51) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL868916 0.85 EIF2AK3 (0.64) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL23042872 0.85 EIF2AK3 (0.70) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL868275 0.80 EIF2AK3 (0.77) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL868281 0.80 EIF2AK3 (0.74) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL23042883 0.80 EIF2AK3 (0.64) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL23042882 0.80 EIF2AK3 (0.64) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL23042851 0.80 EIF2AK3 (0.64) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL23042849 0.80 EIF2AK3 (0.64) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1
SCHEMBL23042910 0.80 EIF2AK3 (0.64) EIF2AK3RIPK1CYP3A4EIF2AK2EIF2AK1

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-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed