SCHEMBL20146782

SCHEMBL20146782

CN1CCC(CCNC(O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.54
MKNK2 Q9HBH9 8/20 0.54
CYP3A4 P08684 1/20 0.54
EIF4E P06730 1/20 0.46
EGLN2 Q96KS0 3/20 0.39
FYN P06241 1/20 0.36
CHRM4 P08173 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HDAC1 Q13547 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
ROS1 P08922 1/20 0.34

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
SCHEMBL15288797 0.83 MKNK1 (0.64) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL19243724 0.80 MKNK1 (0.61) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL20146864 0.78 MKNK1 (0.66) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL15288515 0.73 MKNK1 (0.84) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL15285853 0.72 MKNK1 (0.51) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL15298897 0.72 MKNK1 (0.51) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL16304120 0.72 MKNK1 (0.51) MKNK1MKNK2CYP3A4EIF4EFYN
SCHEMBL15288317 0.72 MKNK1 (0.62) MKNK1MKNK2CYP3A4EIF4ECHRM4
SCHEMBL15298892 0.72 MKNK1 (0.52) MKNK1MKNK2CYP3A4EIF4ENTRK1
SCHEMBL15288399 0.71 MKNK1 (0.69) MKNK1MKNK2CYP3A4EIF4E

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