SCHEMBL19243732

SCHEMBL19243732

COC(=O)c1ccc(-c2ccc3ncc(-c4ccc(C#N)cc4)n3c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.53
MKNK2 Q9HBH9 5/20 0.53
CYP3A4 P08684 1/20 0.53
EIF4E P06730 1/20 0.51
EGLN2 Q96KS0 1/20 0.48
PIK3CA P42336 4/20 0.42
MTOR P42345 3/20 0.42
TGFBR1 P36897 2/20 0.42
KCNH2 Q12809 1/20 0.41
MET P08581 2/20 0.41
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
GAA P10253 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
SCHEMBL15285968 0.89 MKNK1 (0.51) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL15285875 0.89 MKNK1 (0.53) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL15288470 0.86 MKNK1 (0.50) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL15286317 0.86 MKNK1 (0.50) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL15288491 0.83 MKNK1 (0.73) MKNK1MKNK2CYP3A4EIF4EPIK3CA
SCHEMBL16291395 0.81 MKNK1 (0.73) MKNK1MKNK2CYP3A4EIF4EPIK3CA
SCHEMBL15288381 0.79 MKNK1 (0.50) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL15288199 0.78 MKNK1 (0.52) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL19928564 0.78 MKNK1 (0.39) MKNK1MKNK2CYP3A4EIF4EEGLN2
SCHEMBL15288215 0.78 MKNK1 (0.53) MKNK1MKNK2CYP3A4EIF4EEGLN2

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