SCHEMBL31529185

SCHEMBL31529185

CNCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3occc23)O[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.46
▸ ADORA1 P30542 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ADK P55263 4/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ CDK6 Q00534 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 0.85 PAX8 (0.49) PAX8
SCHEMBL31529131 0.82 PAX8 (0.38) PAX8
SCHEMBL31529181 0.78 PAX8 (0.53) PAX8ADORA1SMN1; SMN2ADK
SCHEMBL31529311 0.77 PAX8 (0.72) PAX8SMN1; SMN2CDK2
SCHEMBL31529146 0.76 PAX8 (0.42) PAX8ADORA1SMN1; SMN2CA1
SCHEMBL31529142 0.74 PAX8 (0.47) PAX8SMN1; SMN2CDK2
SCHEMBL31529112 0.72 KDM4E (0.30) —
SCHEMBL31529138 0.70 PAX8 (0.53) PAX8SMN1; SMN2
SCHEMBL31529245 0.70 PAX8 (0.41) PAX8SMN1; SMN2
SCHEMBL31529348 0.66 PAX8 (0.58) PAX8SMN1; SMN2ADKCDK2

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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