SCHEMBL19928564

SCHEMBL19928564

CCOC(=O)c1ccc(-c2ccc3ncc(-c4ccc(C#N)cc4COC)n3c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CYP3A4 P08684 1/20 0.39
TGFBR1 P36897 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 3/20 0.37
EIF4E P06730 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
MET P08581 2/20 0.35
RAB9A P51151 1/20 0.35
ELANE P08246 2/20 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
SCHEMBL15285968 0.86 MKNK1 (0.51) MKNK1MKNK2CYP3A4TGFBR1PKM
SCHEMBL19928565 0.80 MKNK1 (0.49) MKNK1MKNK2EGLN1ATM
SCHEMBL19243732 0.78 MKNK1 (0.53) MKNK1MKNK2CYP3A4TGFBR1GAA
SCHEMBL15288381 0.77 MKNK1 (0.50) MKNK1MKNK2CYP3A4TGFBR1KDM4E
SCHEMBL3850106 0.76 NPC1 (0.53) TGFBR1PKMKDM4EGLAGAA
SCHEMBL15288134 0.75 GAA (0.48) CYP3A4TGFBR1PKMKDM4EGLA
SCHEMBL19928566 0.74 FYN (0.45) MKNK1MKNK2
SCHEMBL15285875 0.73 MKNK1 (0.53) MKNK1MKNK2CYP3A4GAAEIF4E
SCHEMBL15288297 0.72 MKNK1 (0.63) MKNK1MKNK2CYP3A4TGFBR1KDM4E
SCHEMBL3851820 0.70 PIK3CD (0.40) CYP3A4TGFBR1PKMKDM4EGLA

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
US-9908886-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-06 US disclosed