SCHEMBL2374826

SCHEMBL2374826

O=C(Cc1ccccc1Cl)N1CCc2cc(-c3csc4ccncc34)ccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 11/20 0.56
EIF2AK1 Q9BQI3 3/20 0.56
LCK P06239 1/20 0.49
AURKB Q96GD4 1/20 0.49
CYP11B1 P15538 9/20 0.49
CYP11B2 P19099 9/20 0.49
EIF2AK2 P19525 1/20 0.43

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
SCHEMBL2374124 0.88 EIF2AK3 (0.69) EIF2AK3EIF2AK1LCKAURKBCYP11B1
SCHEMBL2374303 0.85 EIF2AK3 (0.60) EIF2AK3EIF2AK1LCKAURKBCYP11B1
SCHEMBL869729 0.84 EIF2AK3 (0.80) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL13860439 0.80 EIF2AK3 (0.55) EIF2AK3EIF2AK1LCKAURKBCYP11B1
SCHEMBL869382 0.75 EIF2AK3 (0.76) EIF2AK3EIF2AK1LCKAURKBCYP11B1
SCHEMBL869352 0.73 EIF2AK3 (0.75) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL30301904 0.72 EIF2AK3 (1.00) EIF2AK3EIF2AK1LCKAURKBCYP11B1
SCHEMBL868900 0.72 EIF2AK3 (1.00) EIF2AK3EIF2AK1LCKAURKBCYP11B1
SCHEMBL867757 0.72 EIF2AK3 (0.78) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL2373424 0.71 MEN1 (0.50) EIF2AK3EIF2AK1LCKAURKBCYP11B1

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