SCHEMBL20208722

SCHEMBL20208722

CC(C)C(=O)Nc1nc(OCCC#N)c2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
PRKD3 O94806 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOS1 P29475 1/20 0.31

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
SCHEMBL21050252 0.83 PRKD3 (0.42) ADORA1ADORA2APRKD3MAPK8MAPK9
SCHEMBL20208720 0.78 CDK5 (0.45) ADORA1ADORA2APRKD3MAPK8MAPK9
SCHEMBL29661338 0.78 ADORA1 (0.43) ADORA1ADORA2AALDH1A1LMNANOS1
SCHEMBL20208862 0.78 CDK5 (0.44) ADORA1ADORA2APRKD3MAPK8MAPK9
SCHEMBL25768308 0.78 CDK5 (0.58) CDK5CDK5R1
SCHEMBL20806161 0.76 CDK5 (0.43) ADORA1ADORA2APRKD3MAPK8MAPK9
SCHEMBL4777464 0.74 ADORA1 (0.41) ADORA1ADORA2ACDK5CDK5R1ALDH1A1
SCHEMBL30590049 0.74 ADORA1 (0.41) ADORA1ADORA2ACDK5CDK5R1ALDH1A1
SCHEMBL22020964 0.74 CDK5 (0.41) ADORA1ADORA2APRKD3MAPK8MAPK9
SCHEMBL29665061 0.73 ADORA1 (0.40) ADORA1ADORA2ACDK5CDK5R1ALDH1A1

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
WO-2018098264-A1 COMPOSITIONS AND METHODS FOR PHOSPHORAMIDITE AND OLIGONUCLEOTIDE SYNTHESIS WAVE LIFE SCIENCES LTD. (SG) 2018-05-31 WO disclosed