SCHEMBL31529191

SCHEMBL31529191

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ PAX8 Q06710 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ EGFR P00533 3/20 0.34
▸ ERBB2 P04626 3/20 0.34
▸ ERBB3 P21860 3/20 0.34
▸ ERBB4 Q15303 3/20 0.34
▸ BRAF P15056 1/20 0.34
▸ TNNI3K Q59H18 1/20 0.34
▸ ADK P55263 1/20 0.32
▸ CA1 P00915 5/20 0.32
▸ CA2 P00918 5/20 0.32

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
SCHEMBL31529230 0.80 PAX8 (0.52) PAX8BRAF
SCHEMBL31529181 0.78 PAX8 (0.53) IRAK4PAX8BRAFTNNI3KADK
SCHEMBL11652071 0.77 PAX8 (0.37) PAX8ADKCA1CA2
SCHEMBL11652097 0.77 PAX8 (0.37) PAX8ADKCA1CA2
SCHEMBL31529222 0.74 IRAK4 (0.41) IRAK4PAX8
SCHEMBL31529150 0.74 IRAK4 (0.41) IRAK4PAX8EGFR
SCHEMBL31529092 0.74 IRAK4 (0.41) IRAK4PAX8
SCHEMBL31529204 0.72 PAX8 (0.44) IRAK4PAX8
SCHEMBL31529122 0.66 IRAK4 (0.42) IRAK4ERBB4
SCHEMBL17612653 0.64 ADK (0.44) ADKCA1CA2

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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