SCHEMBL31529155

SCHEMBL31529155

C[C@@H]1O[C@H](Nc2ncnc3c2ncn3C2CCCCO2)[C@@H](O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADORA2A P29274 1/20 0.39

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
SCHEMBL31529233 0.83 ADORA1 (0.44) ADORA1NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL31529131 0.75 PAX8 (0.38) —
SCHEMBL31529129 0.73 PAX8 (0.41) —
SCHEMBL31529204 0.73 PAX8 (0.44) —
SCHEMBL17009435 0.73 CYP2C19 (0.54) ADORA1NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL31529201 0.72 NPC1 (0.47) ADORA1NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL31529339 0.72 ADORA1 (0.36) ADORA1ADORA2A
SCHEMBL31529228 0.71 PAX8 (0.39) —
SCHEMBL17017084 0.71 CYP2C19 (0.54) ADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL31529226 0.71 ADORA1 (0.36) ADORA1NPC1ADORA2A

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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