SCHEMBL2373766

SCHEMBL2373766

Nc1c(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(Cl)c2)ncc2occc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 9/20 0.48
RIPK1 Q13546 10/20 0.47
EIF2AK1 Q9BQI3 2/20 0.42
EIF2AK2 P19525 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL2373928 0.89 RIPK1 (0.60) EIF2AK3RIPK1EIF2AK1EIF2AK2
SCHEMBL2426841 0.82 RIPK1 (0.58) EIF2AK3RIPK1EIF2AK1EIF2AK2CYP11B1
SCHEMBL2427223 0.82 RIPK1 (0.59) EIF2AK3RIPK1EIF2AK1EIF2AK2
SCHEMBL868852 0.79 EIF2AK3 (0.75) EIF2AK3RIPK1EIF2AK1EIF2AK2
SCHEMBL2374299 0.78 CYP11B1 (0.47) EIF2AK3RIPK1EIF2AK1EIF2AK2CYP11B1
SCHEMBL13860603 0.77 TRIM24 (0.48) EIF2AK3RIPK1EIF2AK1EIF2AK2CYP11B1
SCHEMBL869310 0.75 EIF2AK3 (0.75) EIF2AK3RIPK1EIF2AK1EIF2AK2
SCHEMBL868921 0.71 EIF2AK3 (0.81) EIF2AK3RIPK1EIF2AK1EIF2AK2
SCHEMBL2389701 0.70 CYP11B1 (0.46) EIF2AK3RIPK1EIF2AK1CYP11B1CYP11B2
SCHEMBL868562 0.70 EIF2AK3 (0.72) EIF2AK3RIPK1EIF2AK1EIF2AK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP claimed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO claimed
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