SCHEMBL31529068

SCHEMBL31529068

Cc1cc2ncnc(N[C@H]3O[C@@H](C)[C@H](NC(=O)[C@H]4CCCN4)[C@@H](O)[C@@H]3O)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.39
▸ EPRS1 P07814 2/20 0.31
▸ SRC P12931 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ MELK Q14680 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
SCHEMBL31529206 0.86 PAX8 (0.39) PAX8
SCHEMBL31529085 0.85 PAX8 (0.42) PAX8EPRS1ADORA1
SCHEMBL31529150 0.85 IRAK4 (0.41) PAX8EPRS1SRCEGFRADORA1
SCHEMBL31529231 0.83 PAX8 (0.56) PAX8
SCHEMBL31529096 0.83 PAX8 (0.56) PAX8
SCHEMBL31529163 0.82 IRAK4 (0.41) PAX8EPRS1SRCEGFRADORA1
SCHEMBL31529128 0.79 L3MBTL1 (0.41) PAX8
SCHEMBL31529269 0.77 PAX8 (0.35) PAX8ADORA1
SCHEMBL31529222 0.72 IRAK4 (0.41) PAX8ADORA1
SCHEMBL31529092 0.72 IRAK4 (0.41) PAX8ADORA1

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-2025090774-A1 CHEMOTHERAPEUTIC COMPOUNDS AND METHODS OF USE SEAGEN INC. (US) 2025-05-01 — — WO disclosed
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