SCHEMBL31529343

SCHEMBL31529343

C[C@@H]1O[C@H](Nc2ccncn2)[C@H](O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.32
▸ BUB1 O43683 2/20 0.32
▸ SCN9A Q15858 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
SCHEMBL31529146 0.80 PAX8 (0.42) PAX8MKNK2
SCHEMBL31529131 0.79 PAX8 (0.38) PAX8
SCHEMBL31529129 0.79 PAX8 (0.41) PAX8
SCHEMBL31529228 0.79 PAX8 (0.39) PAX8BUB1
SCHEMBL31529295 0.79 PAX8 (0.44) PAX8BUB1
SCHEMBL31529204 0.79 PAX8 (0.44) PAX8
SCHEMBL31529080 0.79 PAX8 (0.34) PAX8BUB1
SCHEMBL31529155 0.71 ADORA1 (0.43) —
SCHEMBL31529121 0.68 PAX8 (0.48) PAX8
SCHEMBL31529251 0.64 SMN1; SMN2 (0.33) —

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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