SCHEMBL16625997

SCHEMBL16625997

Nc1cc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)c2cc[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 19/20 0.59
MKNK2 Q9HBH9 19/20 0.59
EIF4E P06730 5/20 0.56
PIK3CA P42336 1/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL16620670 0.84 MKNK1 (0.49) MKNK1MKNK2EIF4EPIK3CACYP3A4
SCHEMBL19243854 0.79 MKNK1 (0.69) MKNK1MKNK2EIF4EPIK3CACYP3A4
SCHEMBL16620931 0.75 MKNK1 (0.49) MKNK1MKNK2EIF4EPIK3CA
SCHEMBL29756308 0.75 MKNK1 (0.49) MKNK1MKNK2EIF4EPIK3CA
SCHEMBL15288375 0.73 MKNK1 (0.80) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16625991 0.73 MKNK1 (0.52) MKNK1MKNK2EIF4EPIK3CACYP3A4
SCHEMBL16626044 0.72 MKNK1 (0.62) MKNK1MKNK2EIF4EPIK3CACYP3A4
SCHEMBL16620455 0.72 MKNK1 (0.38) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16291234 0.70 MKNK1 (0.74) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL29756458 0.70 MKNK1 (0.54) MKNK1MKNK2EIF4EPIK3CACYP3A4

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
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 WO disclosed