SCHEMBL31529258

SCHEMBL31529258

C[C@@H]1O[C@H](Nc2ccnc3nc[nH]c23)[C@H](O)[C@H](O)[C@H]1NC(=O)[C@@H]1NCC[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.41
▸ PBK Q96KB5 3/20 0.35
▸ SPHK1 Q9NYA1 7/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL31529099 0.85 PAX8 (0.56) PAX8
SCHEMBL31529138 0.79 PAX8 (0.53) PAX8PBKCYP3A4
SCHEMBL31529092 0.76 IRAK4 (0.41) PAX8SPHK1
SCHEMBL31529222 0.76 IRAK4 (0.41) PAX8SPHK1
SCHEMBL31529312 0.75 PAX8 (0.45) PAX8CYP3A4
SCHEMBL31529290 0.75 PAX8 (0.45) PAX8CYP3A4
SCHEMBL31529302 0.74 IRAK4 (0.41) PAX8SPHK1CYP3A4
SCHEMBL31529281 0.74 IRAK4 (0.41) PAX8SPHK1CYP3A4
SCHEMBL31529218 0.74 PAX8 (0.42) PAX8
SCHEMBL31529295 0.73 PAX8 (0.44) PAX8

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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