SCHEMBL2389701

SCHEMBL2389701

Cc1cc(F)cc(CC(=O)N2CCc3cc(-c4c(N)oc5ccncc45)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
EIF2AK3 Q9NZJ5 10/20 0.43
RIPK1 Q13546 5/20 0.43
LCK P06239 1/20 0.40
AURKB Q96GD4 1/20 0.40
EIF2AK1 Q9BQI3 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
SCHEMBL2374299 0.91 CYP11B1 (0.47) CYP11B1CYP11B2EIF2AK3RIPK1LCK
SCHEMBL2373614 0.84 EIF2AK3 (0.51) CYP11B1CYP11B2EIF2AK3RIPK1LCK
SCHEMBL868562 0.76 EIF2AK3 (0.72) EIF2AK3RIPK1LCKAURKBEIF2AK1
SCHEMBL869753 0.70 EIF2AK3 (0.82) EIF2AK3RIPK1LCKAURKBEIF2AK1
SCHEMBL870063 0.70 RIPK1 (0.82) EIF2AK3RIPK1
SCHEMBL2373766 0.70 EIF2AK3 (0.48) CYP11B1CYP11B2EIF2AK3RIPK1EIF2AK1
SCHEMBL868852 0.68 EIF2AK3 (0.75) EIF2AK3RIPK1LCKAURKBEIF2AK1
SCHEMBL13861301 0.67 RIPK1 (0.52) CYP11B1CYP11B2EIF2AK3RIPK1
SCHEMBL2374711 0.67 EIF2AK3 (0.71) CYP11B1CYP11B2EIF2AK3
SCHEMBL2373928 0.67 RIPK1 (0.60) EIF2AK3RIPK1LCKAURKBEIF2AK1

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