SCHEMBL31479562

SCHEMBL31479562

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CN([C@@H](CN3CCN(C(=O)OC(C)(C)C)CC3)C(C)C)C2)cc2c1cnn2C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 3/20 0.31
THRB P10828 2/20 0.31
MAPT P10636 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
SCHEMBL31479235 1.00 PLK1 (0.34) PLK1GPR119GPBAR1IDO1TDO2
SCHEMBL31479175 0.90 HCRTR1 (0.34) MAPK14
SCHEMBL31479721 0.90 HCRTR1 (0.34) MAPK14
SCHEMBL31479002 0.90 HTR2A (0.32) MAPK14
SCHEMBL31479316 0.89 HTR2A (0.34)
SCHEMBL31479627 0.89 HTR2A (0.34)
SCHEMBL31479852 0.89 GPBAR1 (0.40) PLK1GPR119GPBAR1SMN1; SMN2TP53
SCHEMBL31479636 0.88 HTR2A (0.32) MAPK14
SCHEMBL31479576 0.88 HTR2A (0.32) MAPK14
SCHEMBL31479320 0.86 GPR119 (0.39) GPR119GPBAR1SMN1; SMN2TP53

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed