SCHEMBL2385135

SCHEMBL2385135

Nc1ncc2c(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)csc2n1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 19/20 0.72
▸ EIF2AK1 Q9BQI3 3/20 0.46
▸ LCK P06239 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ EIF2AK2 P19525 1/20 0.43
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL27975806 0.87 EIF2AK3 (0.74) EIF2AK3EIF2AK1LCKAURKB
SCHEMBL868836 0.84 EIF2AK3 (1.00) EIF2AK3EIF2AK1LCKAURKB
SCHEMBL869043 0.80 EIF2AK3 (1.00) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL868818 0.80 EIF2AK3 (0.74) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL869377 0.77 EIF2AK3 (0.76) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL868470 0.77 EIF2AK3 (0.75) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL868891 0.76 EIF2AK3 (0.67) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL16156132 0.75 EIF2AK3 (0.58) EIF2AK3MAPK1
SCHEMBL30361395 0.74 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2
SCHEMBL869204 0.74 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2

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
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