SCHEMBL2374504

SCHEMBL2374504

CC(C)COC(=O)N1CCC(n2cc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c3c(N)ncnc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 17/20 0.67
EIF2AK2 P19525 2/20 0.49
RIPK1 Q13546 2/20 0.48
EIF2AK1 Q9BQI3 1/20 0.48

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
SCHEMBL868648 0.90 EIF2AK3 (0.69) EIF2AK3EIF2AK2
SCHEMBL2374671 0.89 EIF2AK3 (0.66) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868471 0.89 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL2374760 0.85 EIF2AK3 (0.67) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868766 0.85 EIF2AK3 (0.74) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868231 0.84 EIF2AK3 (0.76) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868270 0.84 EIF2AK3 (0.76) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL869421 0.82 EIF2AK3 (0.81) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868634 0.81 EIF2AK3 (1.00) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL869000 0.81 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1

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