SCHEMBL31529093

SCHEMBL31529093

CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](Nc3ncnc4nc[nH]c34)O[C@H]2CO)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.43
▸ BTK Q06187 2/20 0.36
▸ PAK1 Q13153 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ ADK P55263 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ BDKRB1 P46663 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CDK2 P24941 1/20 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
SCHEMBL31529337 0.97 PAX8 (0.42) PAX8BTKPAK1SYKSMN1; SMN2
SCHEMBL31529115 0.96 PAX8 (0.42) PAX8BTKPAK1SYKSMN1; SMN2
SCHEMBL31529156 0.84 PAX8 (0.56) PAX8BTKPAK1SYKSMN1; SMN2
SCHEMBL31529259 0.84 PAX8 (0.45) PAX8BTKSYKSMN1; SMN2HSD17B10
SCHEMBL31529084 0.82 PAX8 (0.46) PAX8BTKSYKSMN1; SMN2HSD17B10
SCHEMBL31529158 0.82 PAX8 (0.47) PAX8BTKPAK1SMN1; SMN2HSD17B10
SCHEMBL31529296 0.82 PAX8 (0.47) PAX8BTKSYKSMN1; SMN2HSD17B10
SCHEMBL31529066 0.82 PAX8 (0.47) PAX8BTKSYKSMN1; SMN2HSD17B10
SCHEMBL31529286 0.81 PAX8 (0.46) PAX8BTKPAK1SMN1; SMN2HSD17B10
SCHEMBL31529175 0.81 PAX8 (0.46) PAX8BTKPAK1SMN1; SMN2HSD17B10

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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