SCHEMBL25626293

SCHEMBL25626293

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.45
PLK3 Q9H4B4 3/20 0.43
PLK2 Q9NYY3 3/20 0.43
FLT3 P36888 3/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MELK Q14680 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
NEK6 Q9HC98 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALK Q9UM73 2/20 0.38
EPHX2 P34913 1/20 0.38
CHRM4 P08173 1/20 0.38
CCNA2 P20248 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
SCHEMBL3503562 0.86 PLK1 (0.52) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL25626292 0.81 CHRM4 (0.39) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL20241977 0.79 ACHE (0.46) PLK1LMNATP53MAPTHPGD
SCHEMBL409329 0.77 PLK1 (0.45) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL25625317 0.75 PLK1 (0.46) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL25626645 0.74 HTR6 (0.46) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL1527209 0.72 PLK1 (0.52) PLK1PLK3PLK2FLT3CSNK2A2
SCHEMBL13249653 0.72 HTR6 (0.48) PLK1FLT3MAPTMAPK1
SCHEMBL11744961 0.72 DRD2 (0.51) CHRM4
SCHEMBL3505480 0.70 KDR (0.46) EPHX2

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