SCHEMBL31479532

SCHEMBL31479532

Cc1cn2c(C3CCNCC3)cc(-c3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 2/20 0.35
PLAT P00750 9/20 0.34
ABL1 P00519 1/20 0.33
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TP53 P04637 2/20 0.31
THRB P10828 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 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
SCHEMBL31479473 0.87 PLAT (0.33) SLC6A2SLC6A4SLC6A3PLATHCRTR1
SCHEMBL31479471 0.87 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3PLATABL1
SCHEMBL31479243 0.86 GPR119 (0.40) TP53THRB
SCHEMBL31479580 0.85 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ABL1HCRTR1
SCHEMBL31479465 0.85 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ABL1HCRTR1
SCHEMBL31479476 0.82 HCRTR1 (0.32) SLC6A2SLC6A4SLC6A3HCRTR1HCRTR2
SCHEMBL31479270 0.81 MEN1 (0.47)
SCHEMBL31479547 0.81 GPBAR1 (0.33) SLC6A2SLC6A4SLC6A3HCRTR1HCRTR2
SCHEMBL31479880 0.79 ALK (0.34) HCRTR1HCRTR2
SCHEMBL31479031 0.76 GRIN2B (0.35) HCRTR1HCRTR2

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