SCHEMBL2373849

SCHEMBL2373849

CC(C)COC(=O)N1CC=C(c2cnc(N)c3c(-c4ccc5c(c4)CCN5C(=O)Cc4ccccc4)csc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 16/20 0.66
EIF2AK1 Q9BQI3 4/20 0.64
EIF2AK2 P19525 2/20 0.64
LCK P06239 1/20 0.64
AURKB Q96GD4 1/20 0.64
BTK Q06187 2/20 0.53
RIPK1 Q13546 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL868717 0.90 BTK (0.68) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL2373837 0.85 EIF2AK3 (0.74) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL869359 0.82 EIF2AK3 (0.75) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL869771 0.80 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL869624 0.79 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL868149 0.79 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL29712088 0.79 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL869079 0.79 EIF2AK3 (1.00) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL869344 0.78 EIF2AK3 (0.79) EIF2AK3EIF2AK1EIF2AK2LCKAURKB
SCHEMBL869035 0.78 EIF2AK3 (0.78) EIF2AK3EIF2AK1EIF2AK2LCKAURKB

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