SCHEMBL19243715

SCHEMBL19243715

N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(O)N5CCOCC5)cc4)cn23)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 18/20 0.66
MKNK2 Q9HBH9 18/20 0.66
EIF4E P06730 2/20 0.66
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 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
SCHEMBL20146864 0.88 MKNK1 (0.66) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL20146929 0.85 MKNK1 (0.52) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL20146857 0.80 MKNK1 (0.56) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL19243879 0.80 MKNK1 (0.62) MKNK1MKNK2EIF4ECYP3A4NTRK1
Tinodasertib SCHEMBL15288605 0.80 MKNK1 (1.00) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL20418033 0.80 MKNK1 (0.71) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL19243847 0.77 MKNK1 (0.55) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16297316 0.77 MKNK1 (0.93) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL20146865 0.76 MKNK1 (0.44) MKNK1MKNK2EIF4ECYP3A4NTRK1
SCHEMBL15298897 0.76 MKNK1 (0.51) MKNK1MKNK2EIF4ECYP3A4

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-2831079-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2017-08-16 EP disclosed