SCHEMBL23999973

SCHEMBL23999973

CNc1ccnc2ccc(C#N)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.59
RIPK2 O43353 2/20 0.59
COQ8A Q8NI60 2/20 0.59
NLK Q9UBE8 2/20 0.59
CDK8 P49336 6/20 0.58
CCNC P24863 5/20 0.58
MAPKAPK2 P49137 2/20 0.53
PDE5A O76074 1/20 0.52
CDK19 Q9BWU1 2/20 0.46
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
SLC22A12 Q96S37 2/20 0.42
MAP4K2 Q12851 1/20 0.41
HASPIN Q8TF76 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL21750391 0.83 GAK (0.55) GAKRIPK2COQ8ANLKCDK8
SCHEMBL21750416 0.81 CDK8 (0.69) GAKRIPK2COQ8ANLKCDK8
SCHEMBL18658890 0.78 PIK3CA (0.46) GAKRIPK2COQ8ANLKCDK8
SCHEMBL981901 0.78 CDK8 (0.51) GAKRIPK2COQ8ANLKCDK8
Hydrochloric Acid SCHEMBL983082 0.77 CDK8 (0.50) GAKRIPK2COQ8ANLKCDK8
SCHEMBL24010219 0.77 MAPKAPK2 (0.62) GAKRIPK2COQ8ANLKCDK8
SCHEMBL24003951 0.76 ABCG2 (0.42) GAKRIPK2COQ8ANLKCDK8
SCHEMBL25053127 0.76 HTR1A (0.70) RIPK2CDK8MAPKAPK2HTR1AADRA1D
SCHEMBL21750414 0.76 CCNC (0.77) GAKRIPK2COQ8ANLKCDK8
SCHEMBL24010750 0.75 GAK (0.64) GAKRIPK2COQ8ANLKCDK8

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-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed