SCHEMBL31529181

SCHEMBL31529181

CNCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3cc[nH]c23)O[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.53
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ BRAF P15056 1/20 0.33
▸ TNNI3K Q59H18 1/20 0.33
▸ ADORA1 P30542 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ADK P55263 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
SCHEMBL31529133 0.86 PAX8 (0.49) PAX8IRAK4
SCHEMBL31529245 0.85 PAX8 (0.41) PAX8SMN1; SMN2
SCHEMBL31529311 0.84 PAX8 (0.72) PAX8BRAFSMN1; SMN2
SCHEMBL31529204 0.82 PAX8 (0.44) PAX8IRAK4
SCHEMBL31529222 0.79 IRAK4 (0.41) PAX8IRAK4ADORA1
SCHEMBL31529092 0.79 IRAK4 (0.41) PAX8IRAK4ADORA1
SCHEMBL31529150 0.79 IRAK4 (0.41) PAX8IRAK4ADORA1
SCHEMBL31529185 0.78 PAX8 (0.46) PAX8ADORA1SMN1; SMN2ADK
SCHEMBL31529191 0.78 IRAK4 (0.47) PAX8IRAK4BRAFTNNI3KADK
SCHEMBL31529146 0.75 PAX8 (0.42) PAX8ADORA1SMN1; SMN2

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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