SCHEMBL25625317

SCHEMBL25625317

C=NC(=N)Nc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.46
FLT3 P36888 5/20 0.43
PLK3 Q9H4B4 4/20 0.43
PLK2 Q9NYY3 4/20 0.43
NEK6 Q9HC98 2/20 0.43
ALK Q9UM73 1/20 0.42
HTR6 P50406 3/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MELK Q14680 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 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
SCHEMBL3503562 0.88 PLK1 (0.52) PLK1FLT3PLK3PLK2NEK6
SCHEMBL1527209 0.83 PLK1 (0.52) PLK1FLT3PLK3PLK2NEK6
SCHEMBL16250622 0.79 PLK1 (0.47) PLK1FLT3PLK3PLK2NEK6
SCHEMBL409329 0.79 PLK1 (0.45) PLK1FLT3PLK3PLK2NEK6
SCHEMBL29226317 0.77 PLK1 (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL30825044 0.77 PLK1 (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL25626293 0.75 PLK1 (0.45) PLK1FLT3PLK3PLK2NEK6
SCHEMBL3504890 0.74 EGFR (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL16003359 0.74 MAPT (0.48) PLK1FLT3PLK3PLK2NEK6
SCHEMBL20241538 0.74 HTR6 (0.58) PLK1FLT3PLK3PLK2NEK6

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