SCHEMBL29756262

SCHEMBL29756262

O=C(c1ccc(-c2ccc3ncc(C#Cc4cnc5cc[nH]c5c4)n3n2)cc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 18/20 0.56
MKNK2 Q9HBH9 18/20 0.56
EIF4E P06730 9/20 0.52
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.43
KCNH2 Q12809 2/20 0.41
TGFBR1 P36897 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
SCHEMBL16625999 1.00 MKNK1 (0.56) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL16621123 0.87 MKNK1 (0.58) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL29756259 0.87 MKNK1 (0.58) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL17969585 0.87 MKNK1 (0.56) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL16626027 0.84 MKNK1 (0.58) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL29756302 0.84 MKNK1 (0.58) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL16620565 0.82 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL29756334 0.82 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4KCNH2
SCHEMBL16621118 0.82 MKNK1 (0.64) MKNK1MKNK2EIF4ECYP3A4HPGD
SCHEMBL29756286 0.82 MKNK1 (0.64) MKNK1MKNK2EIF4ECYP3A4HPGD

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