SCHEMBL15940299

SCHEMBL15940299

NCCc1ncc(N)c2c(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)coc12

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 16/20 0.67
MAPK1 P28482 1/20 0.40
PIK3CD O00329 1/20 0.40
CYP3A4 P08684 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
RIPK1 Q13546 1/20 0.39
EIF2AK2 P19525 1/20 0.39

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
SCHEMBL868773 0.89 EIF2AK3 (0.69) EIF2AK3MAPK1RIPK1EIF2AK2
SCHEMBL868994 0.87 EIF2AK3 (0.73) EIF2AK3RIPK1EIF2AK2
SCHEMBL868645 0.83 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK2
SCHEMBL869888 0.83 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK2
SCHEMBL869091 0.83 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK2
SCHEMBL869218 0.82 EIF2AK3 (0.72) EIF2AK3RIPK1EIF2AK2
SCHEMBL869039 0.81 EIF2AK3 (0.68) EIF2AK3RIPK1EIF2AK2
SCHEMBL30361395 0.80 EIF2AK3 (1.00) EIF2AK3RIPK1EIF2AK2
SCHEMBL869562 0.80 EIF2AK3 (1.00) EIF2AK3MAPK1RIPK1
SCHEMBL869204 0.80 EIF2AK3 (1.00) EIF2AK3RIPK1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227289-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-14 US claimed