SCHEMBL31529133

SCHEMBL31529133

CNCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3[nH]ccc23)O[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.49
▸ JAK3 P52333 13/20 0.39
▸ RET P07949 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ JAK1 P23458 1/20 0.38
▸ TEC P42680 1/20 0.38
▸ TXK P42681 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ BMX P51813 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38

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
SCHEMBL31529181 0.86 PAX8 (0.53) PAX8IRAK4
SCHEMBL31529185 0.85 PAX8 (0.46) PAX8
SCHEMBL31529129 0.82 PAX8 (0.41) PAX8JAK3RETIRAK4JAK1
SCHEMBL31529311 0.81 PAX8 (0.72) PAX8BTK
SCHEMBL31529142 0.76 PAX8 (0.47) PAX8
SCHEMBL31529245 0.76 PAX8 (0.41) PAX8
SCHEMBL31529146 0.76 PAX8 (0.42) PAX8
SCHEMBL31529138 0.72 PAX8 (0.53) PAX8
SCHEMBL31529122 0.72 IRAK4 (0.42) JAK3IRAK4JAK1TECTXK
SCHEMBL31529348 0.70 PAX8 (0.58) PAX8BTK

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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