SCHEMBL31529226

SCHEMBL31529226

Cc1nc2c(N[C@H]3O[C@@H](C)[C@H](NC(=O)[C@H]4CCCN4C(=O)OC(C)(C)C)[C@@H](O)[C@@H]3O)ncnc2n1C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ SCN4A P35499 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ JAK3 P52333 2/20 0.33
▸ ADORA2A P29274 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
SCHEMBL31529339 0.91 ADORA1 (0.36) ADORA1CCNA2CDK2CDK5CDK5R1
SCHEMBL31529233 0.88 ADORA1 (0.44) ADORA1CCNA2CDK2CDK5CDK5R1
SCHEMBL31529128 0.77 L3MBTL1 (0.41) JAK2KDM4EPOLBSCN4AL3MBTL1
SCHEMBL31529197 0.76 PAX8 (0.50) JAK2KDM4EPOLBSCN4AL3MBTL1
SCHEMBL31529303 0.76 NPC1 (0.40) JAK2KDM4EPOLBSCN4AL3MBTL1
SCHEMBL31529135 0.76 KDM4E (0.40) JAK2KDM4EPOLBSCN4AL3MBTL1
SCHEMBL31529108 0.71 ADORA1 (0.43) ADORA1CCNA2CDK2CDK5CDK5R1
SCHEMBL31529155 0.71 ADORA1 (0.43) ADORA1NPC1ADORA2A
SCHEMBL31529164 0.70 PAX8 (0.43) ADORA1JAK2KDM4EPOLBSCN4A
SCHEMBL31529316 0.70 PAX8 (0.43) ADORA1JAK2KDM4EPOLBSCN4A

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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