SCHEMBL18526522

SCHEMBL18526522

CC(C)Cn1cc(C#N)c2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.46
LRRK2 Q5S007 4/20 0.43
DYRK1A Q13627 2/20 0.43
RPS6KB1 P23443 2/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PHKG2 P15735 1/20 0.43
PRKACA P17612 1/20 0.43
MARK3 P27448 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ROCK1 Q13464 1/20 0.43
CAMK2G Q13555 1/20 0.43

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
SCHEMBL18520393 0.84 ADK (0.49) ADKLRRK2DYRK1AMAP4K4PRKACA
SCHEMBL26831072 0.80 RPS6KB1 (0.47) ADKDYRK1ARPS6KB1DYRK3ROCK2
SCHEMBL7695926 0.78 ADK (0.45) ADKLRRK2DYRK1ACFDSRC
SCHEMBL16236495 0.78 DYRK3 (0.67) ADKDYRK1ARPS6KB1DYRK3ROCK2
SCHEMBL6364076 0.78 KDR (0.56) ADKLRRK2DYRK1ASRCKDR
SCHEMBL29052166 0.78 ADORA2A (0.50) ADKDYRK1ARPS6KB1DYRK3ROCK2
SCHEMBL29781064 0.78 ADORA2A (0.50) ADKDYRK1ARPS6KB1DYRK3ROCK2
SCHEMBL7698564 0.76 ADK (0.43) ADKLRRK2DYRK1ARPS6KB1ROCK2
SCHEMBL6434095 0.76 LRRK2 (0.54) ADKLRRK2DYRK1AMAP4K4PRKACA
SCHEMBL7700385 0.76 ADORA2A (0.52) ADKLRRK2CFDSRCPIK3CD

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-2017027645-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed