SCHEMBL31529129

SCHEMBL31529129

C[C@@H]1O[C@H](Nc2ncnc3[nH]ccc23)[C@H](O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.41
▸ JAK3 P52333 12/20 0.39
▸ JAK1 P23458 3/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ RET P07949 2/20 0.35

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
SCHEMBL31529204 0.88 PAX8 (0.44) PAX8IRAK4
SCHEMBL31529131 0.87 PAX8 (0.38) PAX8
SCHEMBL31529133 0.82 PAX8 (0.49) PAX8JAK3JAK1IRAK4RET
SCHEMBL31529228 0.80 PAX8 (0.39) PAX8
SCHEMBL31529080 0.80 PAX8 (0.34) PAX8
SCHEMBL31529343 0.79 PAX8 (0.34) PAX8
SCHEMBL31529295 0.76 PAX8 (0.44) PAX8
SCHEMBL31529121 0.74 PAX8 (0.48) PAX8
SCHEMBL31529155 0.73 ADORA1 (0.43) —
SCHEMBL23408985 0.71 TTBK1 (0.47) JAK3JAK1JAK2RET

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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