SCHEMBL2373250

SCHEMBL2373250

Cc1cccc(CC(=O)N2CCc3cc(-c4nn(CCO)c5cncc(N)c45)ccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 0.61
EIF2AK3 Q9NZJ5 1/20 0.54

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
SCHEMBL2437001 0.92 RIPK1 (0.61) RIPK1EIF2AK3
SCHEMBL868811 0.83 RIPK1 (0.83) RIPK1EIF2AK3
SCHEMBL868611 0.78 RIPK1 (0.67) RIPK1EIF2AK3
SCHEMBL869188 0.77 RIPK1 (0.82) RIPK1EIF2AK3
SCHEMBL868494 0.76 RIPK1 (1.00) RIPK1EIF2AK3
SCHEMBL2374039 0.74 RIPK1 (0.52) RIPK1EIF2AK3
SCHEMBL13861268 0.74 RIPK1 (0.61) RIPK1EIF2AK3
SCHEMBL869179 0.73 EIF2AK3 (0.60) RIPK1EIF2AK3
SCHEMBL868578 0.73 RIPK1 (0.81) RIPK1EIF2AK3
SCHEMBL16341477 0.72 RIPK1 (0.80) RIPK1EIF2AK3

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 3 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