SCHEMBL2374299

SCHEMBL2374299

Nc1oc2ccncc2c1-c1ccc2c(c1)CCN2C(=O)Cc1cc(F)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
EIF2AK3 Q9NZJ5 12/20 0.45
RIPK1 Q13546 5/20 0.42
EIF2AK1 Q9BQI3 3/20 0.41
EIF2AK2 P19525 1/20 0.41
LCK P06239 1/20 0.40
AURKB Q96GD4 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
SCHEMBL2389701 0.91 CYP11B1 (0.46) CYP11B1CYP11B2EIF2AK3RIPK1EIF2AK1
SCHEMBL2373766 0.78 EIF2AK3 (0.48) CYP11B1CYP11B2EIF2AK3RIPK1EIF2AK1
SCHEMBL868852 0.77 EIF2AK3 (0.75) EIF2AK3RIPK1EIF2AK1EIF2AK2LCK
SCHEMBL2373614 0.75 EIF2AK3 (0.51) CYP11B1CYP11B2EIF2AK3RIPK1EIF2AK1
SCHEMBL13860603 0.74 TRIM24 (0.48) CYP11B1CYP11B2EIF2AK3RIPK1EIF2AK1
SCHEMBL869310 0.72 EIF2AK3 (0.75) EIF2AK3RIPK1EIF2AK1EIF2AK2LCK
SCHEMBL868921 0.70 EIF2AK3 (0.81) EIF2AK3RIPK1EIF2AK1EIF2AK2LCK
SCHEMBL2374711 0.69 EIF2AK3 (0.71) CYP11B1CYP11B2EIF2AK3
SCHEMBL2374303 0.68 EIF2AK3 (0.60) CYP11B1CYP11B2EIF2AK3RIPK1EIF2AK1
SCHEMBL2373928 0.68 RIPK1 (0.60) EIF2AK3RIPK1EIF2AK1EIF2AK2LCK

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