SCHEMBL31529222

SCHEMBL31529222

C[C@@H]1O[C@H](Nc2ncnc3cc[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 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ADORA1 P30542 1/20 0.31
▸ SPHK1 Q9NYA1 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
SCHEMBL31529092 1.00 IRAK4 (0.41) IRAK4PAX8ADORA1SPHK1
SCHEMBL31529150 0.86 IRAK4 (0.41) IRAK4PAX8ADORA1
SCHEMBL31529206 0.85 PAX8 (0.39) PAX8
SCHEMBL31529099 0.85 PAX8 (0.56) PAX8
SCHEMBL31529281 0.84 IRAK4 (0.41) IRAK4PAX8ADORA1SPHK1
SCHEMBL31529302 0.84 IRAK4 (0.41) IRAK4PAX8ADORA1SPHK1
SCHEMBL31529218 0.83 PAX8 (0.42) PAX8
SCHEMBL31529181 0.79 PAX8 (0.53) IRAK4PAX8ADORA1
SCHEMBL31529294 0.79 ADORA1 (0.41) PAX8ADORA1
SCHEMBL31529191 0.74 IRAK4 (0.47) IRAK4PAX8

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
Send feedback