SCHEMBL20146786

SCHEMBL20146786

CC1=CCN(C(O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.54
MKNK2 Q9HBH9 13/20 0.54
FYN P06241 7/20 0.44
CYP3A4 P08684 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
SCHEMBL19243866 0.80 MKNK1 (0.70) MKNK1MKNK2FYNCYP3A4
SCHEMBL15288537 0.80 MKNK1 (0.74) MKNK1MKNK2CYP3A4
SCHEMBL20146796 0.77 MKNK1 (0.58) MKNK1MKNK2FYNCYP3A4
SCHEMBL20146864 0.74 MKNK1 (0.66) MKNK1MKNK2FYNCYP3A4
SCHEMBL16331186 0.72 MKNK1 (0.69) MKNK1MKNK2FYN
SCHEMBL16331348 0.71 FYN (0.70) MKNK1MKNK2FYN
SCHEMBL15288368 0.71 MKNK1 (0.80) MKNK1MKNK2CYP3A4
SCHEMBL16331295 0.71 FYN (0.67) MKNK1MKNK2FYN
SCHEMBL15288722 0.71 MKNK1 (0.82) MKNK1MKNK2FYNCYP3A4
SCHEMBL19243715 0.71 MKNK1 (0.66) MKNK1MKNK2CYP3A4

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-3321268-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF Agency For Science, Technology And Research (SG) 2018-05-16 EP disclosed