SCHEMBL24519971

SCHEMBL24519971

C=C(Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 18/20 0.53
MKNK2 Q9HBH9 18/20 0.53
EIF4E P06730 7/20 0.50
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.40
CFTR P13569 1/20 0.39
FYN P06241 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
SCHEMBL16620639 0.93 MKNK1 (0.54) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16625996 0.90 MKNK1 (0.54) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16621090 0.90 MKNK1 (0.56) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16621478 0.89 MKNK1 (0.64) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL24520061 0.88 MKNK1 (0.57) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16620568 0.88 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16620656 0.88 MKNK1 (0.54) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16621219 0.87 MKNK1 (0.51) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16625994 0.87 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16620666 0.87 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4KCNH2

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