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SCHEMBL22525402

SCHEMBL22525402

NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)c3cc4cc(CP(=O)(O)O)ccc4[nH]3)C(=O)N21)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 11/20 0.81
▸ STAT1 P42224 1/20 0.81
▸ STAT4 Q14765 1/20 0.81
▸ XIAP P98170 8/20 0.40
▸ BIRC3 Q13489 8/20 0.40
▸ BIRC2 Q13490 8/20 0.40
▸ STAT5A P42229 1/20 0.37
▸ STAT5B P51692 1/20 0.37

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
SCHEMBL25228341 0.96 STAT3 (0.88) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL30308572 0.96 STAT3 (0.88) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL25228342 0.96 STAT3 (0.88) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL22468771 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL22468769 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL30308498 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL25210244 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL25210237 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL30308610 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3
SCHEMBL30308404 0.90 STAT3 (1.00) STAT3STAT1STAT4XIAPBIRC3

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-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
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