SCHEMBL25623955

SCHEMBL25623955

CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(=O)NNC(N)=O)nn3C)CC4)c2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.86
PLK3 Q9H4B4 9/20 0.86
PLK2 Q9NYY3 7/20 0.86
FLT3 P36888 5/20 0.86
NEK6 Q9HC98 3/20 0.86
CCNA2 P20248 4/20 0.73
CDK2 P24941 4/20 0.73
CCNA1 P78396 4/20 0.73
CSNK2A2 P19784 2/20 0.73
MELK Q14680 2/20 0.73
ALK Q9UM73 1/20 0.73
CSNK2B P67870 1/20 0.73
CSNK2A1 P68400 1/20 0.73
CSNK2A3 Q8NEV1 1/20 0.73
RPS6KA4 O75676 1/20 0.71
CDK1 P06493 1/20 0.71
KIT P10721 1/20 0.71
IMPDH2 P12268 1/20 0.71
CCNB1 P14635 1/20 0.71
CCNE1 P24864 1/20 0.71

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
SCHEMBL3503253 0.93 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503538 0.92 PLK1 (0.86) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503591 0.90 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL25623951 0.90 PLK1 (0.83) PLK1PLK3PLK2FLT3NEK6
Potassium Ion SCHEMBL3503567 0.89 PLK1 (0.86) PLK1PLK3PLK2FLT3NEK6
SCHEMBL15377692 0.88 PLK1 (0.91) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504604 0.88 PLK1 (0.84) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504073 0.87 PLK1 (0.89) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503601 0.86 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503624 0.86 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6

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-2023104178-A1 PROTEIN KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 山东绿叶制药有限公司 2023-06-15 WO disclosed