SCHEMBL2373645

SCHEMBL2373645

CC(C)COC(=O)N1CCc2cc(-c3nn(C)c4ncnc(N)c34)ccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 18/20 0.68
EIF2AK3 Q9NZJ5 1/20 0.62
PIK3CD O00329 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
HCK P08631 1/20 0.49
SRC P12931 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
EPHB4 P54760 1/20 0.49
PRKDC P78527 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL869029 0.85 RIPK1 (0.66) RIPK1EIF2AK3PIK3CDABL1EGFR
SCHEMBL870134 0.80 RIPK1 (0.84) RIPK1EIF2AK3
SCHEMBL868450 0.79 RIPK1 (0.86) RIPK1EIF2AK3
SCHEMBL869703 0.79 RIPK1 (0.87) RIPK1EIF2AK3
SCHEMBL869003 0.79 RIPK1 (0.87) RIPK1EIF2AK3
SCHEMBL869735 0.78 RIPK1 (0.75) RIPK1EIF2AK3
SCHEMBL868428 0.78 RIPK1 (0.75) RIPK1EIF2AK3
SCHEMBL868498 0.78 EIF2AK3 (0.75) RIPK1EIF2AK3
SCHEMBL868654 0.78 EIF2AK3 (0.76) RIPK1EIF2AK3
SCHEMBL867891 0.77 EIF2AK3 (0.84) 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 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