SCHEMBL31479221

SCHEMBL31479221

Cc1ncc2c(-c3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)cc(C3CN([C@H](CCCN4CCN(C(=O)OC(C)(C)C)CC4)C(C)C)C3)cn12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
PLK1 P53350 1/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
THRB P10828 1/20 0.31
MCHR1 Q99705 1/20 0.31
BACE1 P56817 1/20 0.30
MAPK14 Q16539 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31479521 1.00 TP53 (0.34) TP53LMNAMAPTPLK1IDO1
SCHEMBL31479847 0.95 LMNA (0.34) TP53LMNAMAPTPLK1IDO1
SCHEMBL31478990 0.95 LMNA (0.34) TP53LMNAMAPTPLK1IDO1
SCHEMBL31479412 0.93 TP53 (0.35) TP53LMNAMAPTPLK1IDO1
SCHEMBL31479622 0.91 HTR2A (0.31)
SCHEMBL31479489 0.91 HTR2A (0.31)
SCHEMBL31479881 0.89 DRD2 (0.31)
SCHEMBL31479918 0.89 DRD2 (0.31)
SCHEMBL31478941 0.88 GPR119 (0.33) TP53LMNAMAPTPLK1IDO1
SCHEMBL31478913 0.88 GPBAR1 (0.39) GPBAR1GPR119BACE1SMN1; SMN2

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