SCHEMBL30401922

SCHEMBL30401922

COC(=O)c1ccnc2c(N)ncnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 4/20 0.47
GLA P06280 2/20 0.47
PSMD14 O00487 1/20 0.47
HSD17B10 Q99714 3/20 0.41
CFTR P13569 1/20 0.41
SLC40A1 Q9NP59 2/20 0.40
ATM Q13315 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATR Q13535 1/20 0.38
ABL1 P00519 1/20 0.37
MAP2K1 Q02750 1/20 0.37
AKT1 P31749 2/20 0.37
RPS6KB1 P23443 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL24399702 1.00 KDM4E (0.47) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL15762663 0.83 PSMD14 (0.48) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL14574794 0.80 NAPRT (0.46) KDM4EALDH1A1PSMD14MAPTHPGD
SCHEMBL18224721 0.75 KDM4E (0.54) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL3553958 0.73 KDM4E (0.53) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL21749959 0.73 KDM4E (0.53) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL31032953 0.72 KDM4E (0.51) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL3630664 0.72 GAA (0.51) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL69886 0.71 PSMD14 (0.73) KDM4EALDH1A1GAAGLAPSMD14
SCHEMBL2370623 0.71 KDM4E (0.55) KDM4EALDH1A1GAAGLAPSMD14

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
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed