SCHEMBL2374124

SCHEMBL2374124

O=C(Cc1ccccc1)N1CCc2cc(-c3csc4ccncc34)ccc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 9/20 0.69
EIF2AK1 Q9BQI3 3/20 0.69
CYP11B1 P15538 6/20 0.65
CYP11B2 P19099 6/20 0.65
LCK P06239 1/20 0.62
AURKB Q96GD4 1/20 0.62
EIF2AK2 P19525 1/20 0.55
ALDH1A1 P00352 1/20 0.49
RIPK1 Q13546 2/20 0.46
PTGER2 P43116 2/20 0.45

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
SCHEMBL2374303 0.90 EIF2AK3 (0.60) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL13860439 0.88 EIF2AK3 (0.55) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL2374826 0.88 EIF2AK3 (0.56) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL4527947 0.82 CYP11B1 (0.78) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL868900 0.82 EIF2AK3 (1.00) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL30301904 0.82 EIF2AK3 (1.00) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL16989837 0.79 CYP11B2 (1.00) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL869771 0.78 EIF2AK3 (1.00) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL869079 0.77 EIF2AK3 (1.00) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK
SCHEMBL2373183 0.75 RIPK1 (0.77) EIF2AK3EIF2AK1CYP11B1CYP11B2LCK

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