SCHEMBL14655779

SCHEMBL14655779

O=C(NCCc1cnc(N(C(=O)O)C(=O)O)c2c(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)coc12)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 17/20 0.51
EIF2AK1 Q9BQI3 3/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
RIPK1 Q13546 2/20 0.35
LCK P06239 1/20 0.35
AURKB Q96GD4 1/20 0.35
EIF2AK2 P19525 1/20 0.34

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
SCHEMBL869246 0.93 EIF2AK3 (0.48) EIF2AK3EIF2AK1CYP11B1CYP11B2RIPK1
SCHEMBL6926794 0.91 EIF2AK3 (0.60) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL14655630 0.82 EIF2AK3 (0.61) EIF2AK3EIF2AK1CYP11B1CYP11B2EIF2AK2
SCHEMBL14655668 0.81 EIF2AK3 (0.60) EIF2AK3EIF2AK1CYP11B1CYP11B2RIPK1
SCHEMBL14576841 0.80 EIF2AK3 (0.67) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL868362 0.79 EIF2AK3 (0.63) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL869247 0.78 EIF2AK3 (0.39) EIF2AK3EIF2AK1CYP11B1CYP11B2RIPK1
SCHEMBL868994 0.76 EIF2AK3 (0.73) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL13860336 0.75 EIF2AK3 (0.67) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL869039 0.74 EIF2AK3 (0.68) EIF2AK3RIPK1EIF2AK2

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
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed