SCHEMBL23999976

SCHEMBL23999976

COC(=O)c1ccc(Nc2ccnc3ccc(C#N)cc23)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.53
RIPK2 O43353 2/20 0.53
COQ8A Q8NI60 2/20 0.53
NLK Q9UBE8 2/20 0.53
CDK8 P49336 10/20 0.46
CCNC P24863 9/20 0.46
CDK19 Q9BWU1 3/20 0.46
MAPKAPK2 P49137 2/20 0.44
PDE5A O76074 1/20 0.44
MAP4K2 Q12851 1/20 0.42
HASPIN Q8TF76 1/20 0.42
DYRK3 O43781 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
CDK1 P06493 1/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL25841291 0.89 GAK (0.48) GAKRIPK2COQ8ANLKCDK8
SCHEMBL23999974 0.88 GAK (0.48) GAKRIPK2COQ8ANLKCDK8
SCHEMBL23999756 0.86 GAK (0.62) GAKRIPK2COQ8ANLKCDK8
SCHEMBL23999795 0.84 RET (0.43) RIPK2MAPKAPK2
SCHEMBL23999501 0.82 HCAR3 (0.48) MAPKAPK2
SCHEMBL23999539 0.82 MAPK1 (0.47) GAKRIPK2COQ8ANLKMAPKAPK2
SCHEMBL24010545 0.81 GAK (0.59) GAKRIPK2COQ8ANLKCDK8
SCHEMBL25826242 0.80 MAPT (0.54) CDK8CCNCMAP4K2DYRK3GSK3B
SCHEMBL19151445 0.79 MAPT (0.56) GAKRIPK2COQ8ANLKCDK8
SCHEMBL30180417 0.79 MAPT (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed