SCHEMBL31479484

SCHEMBL31479484

Cc1nc(F)c2c(-c3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)cc(C3CN(C(=O)OC(C)(C)C)C3)cn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.39
GPR119 Q8TDV5 2/20 0.35
BACE1 P56817 4/20 0.35
BACE2 Q9Y5Z0 2/20 0.34
POLB P06746 1/20 0.33
USP30 Q70CQ3 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE4B Q07343 1/20 0.32
ENPP2 Q13822 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
SLC34A1 Q06495 1/20 0.32

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
SCHEMBL31479332 0.93 GPBAR1 (0.38) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479845 0.89 WNT3 (0.34) GPBAR1GPR119POLB
SCHEMBL31478913 0.88 GPBAR1 (0.39) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479344 0.87 SLC6A2 (0.30)
SCHEMBL31479007 0.87 GPBAR1 (0.37) GPBAR1GPR119BACE1BACE2POLB
SCHEMBL31479533 0.85
SCHEMBL31478976 0.85 TLR9 (0.31) ENPP2
SCHEMBL31479016 0.85 SMN1; SMN2 (0.42) GPBAR1BACE1BACE2POLB
SCHEMBL31479738 0.85 GPR119 (0.39) GPR119POLBUSP30ENPP2
SCHEMBL31479350 0.84 ALDH1A1 (0.41) GPBAR1GPR119BACE1BACE2POLB

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