SCHEMBL24520004

SCHEMBL24520004

N=Cc1c(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)ccnc1N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 17/20 0.51
MKNK2 Q9HBH9 17/20 0.51
EIF4E P06730 3/20 0.51
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
MTOR P42345 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
SCHEMBL24520085 0.91 MKNK1 (0.54) MKNK1MKNK2EIF4EMTOR
SCHEMBL24520069 0.90 MKNK1 (0.49) MKNK1MKNK2EIF4EPIK3CA
SCHEMBL24520049 0.85 MKNK1 (0.53) MKNK1MKNK2EIF4EMTOR
SCHEMBL16620433 0.80 MKNK1 (0.58) MKNK1MKNK2EIF4E
SCHEMBL16621227 0.80 MKNK1 (0.57) MKNK1MKNK2EIF4EPIK3CAPIK3CD
SCHEMBL24520005 0.80 PIK3CA (0.34) PIK3CA
SCHEMBL16626035 0.79 MKNK1 (0.52) MKNK1MKNK2EIF4E
SCHEMBL16620579 0.79 MKNK1 (0.52) MKNK1MKNK2EIF4E
SCHEMBL16620978 0.79 MKNK1 (0.61) MKNK1MKNK2EIF4E
SCHEMBL16620317 0.76 MKNK1 (0.65) MKNK1MKNK2EIF4E

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
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed