SCHEMBL31479503

SCHEMBL31479503

CCN(C(=O)c1cc(F)ccc1-c1cc(C2CN(C(=O)[C@H]3C4CCC(CC4)N3C(=O)OC(C)(C)C)C2)cn2c(C)ncc12)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.32
NTRK1 P04629 1/20 0.32
GPR119 Q8TDV5 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL31479318 0.91 PREP (0.37) PREPGPBAR1NTRK1GPR119JAK2
SCHEMBL31479892 0.90 GPBAR1 (0.38) GPBAR1GPR119USP30
SCHEMBL31479380 0.89 PREP (0.38) PREPNTRK1GPR119
SCHEMBL31478999 0.89 PREP (0.40) PREPNTRK1GPR119
SCHEMBL31479147 0.88 PREP (0.36) PREP
SCHEMBL31479100 0.87 GPR119 (0.39) GPR119USP30
SCHEMBL31479171 0.87 GPBAR1 (0.33) GPBAR1NTRK1
SCHEMBL31479899 0.84 ALOX5AP (0.37) GPR119USP30
SCHEMBL31479454 0.84 PREP (0.38) PREPGPR119
SCHEMBL31478913 0.83 GPBAR1 (0.39) GPBAR1GPR119USP30

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