SCHEMBL31389798

SCHEMBL31389798

FC(F)(F)c1nc2c([nH]1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
SMPD3 Q9NY59 1/20 0.34
CSNK2A1 P68400 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL14008901 0.79 HRH4 (0.38) HRH4SMPD3L3MBTL1MAPT
SCHEMBL20220763 0.78 HRH4 (0.34) HRH4SMPD3
SCHEMBL19012501 0.78 HRH4 (0.37) HRH4SMPD3L3MBTL1MAPT
SCHEMBL22487889 0.75 HRH4 (0.35) HRH4SMPD3L3MBTL1KDM4EMAPT
SCHEMBL5644866 0.75 CSNK2A1 (0.31) CSNK2A1NPSR1CSNK2A2CSNK2B
SCHEMBL22487932 0.73 HRH4 (0.35) HRH4SMPD3
SCHEMBL7326945 0.73 TNKS (0.56) TNKSPARP1WNT3ATNKS2SMN1; SMN2
SCHEMBL22487904 0.69 HRH4 (0.32) HRH4SMPD3
SCHEMBL22487915 0.67 HRH4 (0.31) HRH4SMPD3HPGD
SCHEMBL2254884 0.67 HRH4 (0.38) HRH4SMPD3

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed