SCHEMBL16705133

SCHEMBL16705133

CCC1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)noc2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.63
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
CYP3A4 P08684 1/20 0.39
EIF4E P06730 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
EGLN1 Q9GZT9 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
JAK1 P23458 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL1353279 0.83 ADORA2A (0.76) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355354 0.83 ADORA2A (0.76) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1353128 0.82 ADORA2A (0.56) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1355553 0.81 ADORA2A (0.73) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL12134407 0.79 ADORA2A (0.51) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1352825 0.77 ADORA2A (1.00) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1356263 0.77 ADORA2A (1.00) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL13284827 0.77 ADORA2A (0.47) ADORA2AMKNK1MKNK2CYP3A4EIF4E
SCHEMBL1356341 0.70 ADORA2A (1.00) ADORA2AMKNK1MKNK2EIF4E
SCHEMBL1356309 0.70 ADORA2A (0.80) ADORA2AMKNK1MKNK2EIF4E

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-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed