SCHEMBL31728072

SCHEMBL31728072

COc1ccc(CN2C(=O)CC[C@@H](n3cc4cc(F)c(Br)cc4n3)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.37
HCRTR1 O43613 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GRM2 Q14416 3/20 0.37
LMNA P02545 1/20 0.36
PARK7 Q99497 1/20 0.36
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BLM P54132 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34

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
SCHEMBL31726716 1.00 HCRTR2 (0.37) HCRTR2HCRTR1MEN1KMT2AGRM2
SCHEMBL31728196 0.96 HCRTR2 (0.37) HCRTR2HCRTR1MEN1KMT2AGRM2
SCHEMBL24207296 0.86 POLB (0.39) HCRTR2HCRTR1MEN1KMT2AGRM2
SCHEMBL31726925 0.80 PDE1B (0.40) HCRTR2HCRTR1MEN1KMT2AGRM2
SCHEMBL31612878 0.79 PDE1B (0.40) HCRTR2HCRTR1MEN1KMT2AGRM2
SCHEMBL31281962 0.76 HCRTR2 (0.38) HCRTR2HCRTR1MEN1KMT2ALMNA
SCHEMBL24207912 0.76 KMT2A (0.44) MEN1KMT2AGRM2LMNAALDH1A1
SCHEMBL31701143 0.76 HCRTR2 (0.38) HCRTR2HCRTR1MEN1KMT2ALMNA
SCHEMBL24207468 0.75 PDE3B (0.44) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL22912929 0.74 MAPT (0.40) MEN1KMT2APARK7CMA1ALDH1A1

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-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed