SCHEMBL30366365

SCHEMBL30366365

Cc1c(C(N)=O)sc2c(N3CCOCC3)ncnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.59
SIRT1 Q96EB6 2/20 0.59
SIRT3 Q9NTG7 2/20 0.59
MAPK1 P28482 3/20 0.52
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
PIK3CA P42336 2/20 0.49
IKBKB O14920 1/20 0.45
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CHRM4 P08173 1/20 0.43
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 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
SCHEMBL16011508 0.80 SIRT2 (0.75) SIRT2SIRT1SIRT3
SCHEMBL16011667 0.77 SIRT2 (0.86) SIRT2SIRT1SIRT3
SCHEMBL16014075 0.75 SIRT2 (1.00) SIRT2SIRT1SIRT3
SCHEMBL30271533 0.73 SIRT2 (0.76) SIRT2SIRT1SIRT3PIK3CA
SCHEMBL16011606 0.72 SIRT2 (0.44) SIRT2SIRT1SIRT3AURKARPS6KB1
SCHEMBL20841614 0.71 MAPK1 (0.64) MAPK1PIK3CACHRM4KDM4EALDH1A1
SCHEMBL20841483 0.69 PIK3CA (0.65) MAPK1PIK3CACHRM4KDM4EALDH1A1
SCHEMBL20841613 0.69 CHRM4 (0.80) MAPK1PIK3CACHRM4KDM4EALDH1A1
SCHEMBL20841615 0.68 MAPK1 (1.00) MAPK1AURKARPS6KB1PIK3CAIKBKB
SCHEMBL21048259 0.68 MAPK1 (0.71) MAPK1PIK3CACHRM4KDM4EALDH1A1

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
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 EP claimed
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 EP disclosed