SCHEMBL24520018

SCHEMBL24520018

Cc1ccc(C=O)cc1C#Cc1cnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)nn12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 16/20 0.54
MKNK2 Q9HBH9 16/20 0.54
EIF4E P06730 4/20 0.52
CYP3A4 P08684 1/20 0.43
RET P07949 1/20 0.43
ABL1 P00519 2/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL16620724 0.88 MKNK1 (0.56) MKNK1MKNK2EIF4ECYP3A4RET
SCHEMBL19841342 0.87 MKNK1 (0.63) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16620678 0.87 MKNK1 (0.68) MKNK1MKNK2EIF4ECYP3A4RET
SCHEMBL16620815 0.86 MKNK1 (0.59) MKNK1MKNK2EIF4ECYP3A4PARP1
SCHEMBL24520080 0.85 FYN (0.37) ABL1
SCHEMBL17969602 0.81 MKNK1 (0.66) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16625987 0.80 MKNK1 (0.65) MKNK1MKNK2EIF4ECYP3A4PARP1
SCHEMBL29756275 0.80 MKNK1 (0.60) MKNK1MKNK2EIF4ECYP3A4PARP1
SCHEMBL16620737 0.80 MKNK1 (0.60) MKNK1MKNK2EIF4ECYP3A4PARP1
SCHEMBL16620911 0.79 MKNK1 (0.64) 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 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