SCHEMBL16620874

SCHEMBL16620874

O=C(O)Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)ccn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 19/20 0.54
MKNK2 Q9HBH9 19/20 0.54
EIF4E P06730 4/20 0.54
MTOR P42345 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL16621021 0.88 MKNK1 (0.49) MKNK1MKNK2EIF4EMTORCYP3A4
SCHEMBL16621227 0.87 MKNK1 (0.57) MKNK1MKNK2EIF4EMTOR
SCHEMBL17998744 0.86 MKNK1 (0.49) MKNK1MKNK2EIF4EMTOR
SCHEMBL16620978 0.86 MKNK1 (0.61) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16620997 0.82 MKNK1 (0.51) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16620521 0.82 CCNC (0.51) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16620420 0.81 MKNK1 (0.44) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16620756 0.81 MKNK1 (0.42) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL24520115 0.80 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL17998768 0.79 MKNK2 (0.51) MKNK1MKNK2EIF4ECYP3A4

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-3052501-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF Agency For Science, Technology And Research (SG) 2016-08-10 EP disclosed
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 WO disclosed