SCHEMBL31529286

SCHEMBL31529286

NC1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](Nc3ncnc4nc[nH]c34)O[C@H]2CO)CCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.46
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ PAK1 Q13153 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ADK P55263 1/20 0.38
▸ BTK Q06187 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL31529175 0.98 PAX8 (0.46) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529272 0.97 PAX8 (0.45) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529158 0.96 PAX8 (0.47) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529246 0.84 PAX8 (0.53) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529098 0.81 PAX8 (0.49) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529306 0.81 PAX8 (0.49) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529304 0.81 PAX8 (0.57) PAX8LMNAHTTPAK1ADK
SCHEMBL31529348 0.80 PAX8 (0.58) PAX8LMNAHTTPAK1HSD17B10
SCHEMBL31529219 0.80 PAX8 (0.58) PAX8LMNAHTTPAK1ADK
SCHEMBL31529300 0.80 PAX8 (0.52) PAX8LMNAHTTPAK1HSD17B10

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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