SCHEMBL30478053

SCHEMBL30478053

Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.67
▸ P2RY2 P41231 3/20 0.58
▸ P2RY4 P51582 3/20 0.58
▸ P2RY6 Q15077 3/20 0.58
▸ TERT O14746 2/20 0.55
▸ POLB P06746 3/20 0.54
▸ DTYMK P23919 4/20 0.52
▸ FUT5 Q11128 1/20 0.48
▸ TYMS P04818 1/20 0.45

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
SCHEMBL30055250 1.00 F2 (0.67) F2P2RY2P2RY4P2RY6TERT
SCHEMBL29551345 1.00 F2 (0.67) F2P2RY2P2RY4P2RY6TERT
SCHEMBL31103632 1.00 F2 (0.67) F2P2RY2P2RY4P2RY6TERT
SCHEMBL29552315 1.00 F2 (0.67) F2P2RY2P2RY4P2RY6TERT
SCHEMBL30092339 0.96 F2 (0.62) F2P2RY2P2RY4P2RY6TERT
SCHEMBL29652743 0.96 F2 (0.62) F2P2RY2P2RY4P2RY6TERT
SCHEMBL29519934 0.96 F2 (0.62) F2P2RY2P2RY4P2RY6TERT
SCHEMBL29372542 0.96 F2 (0.62) F2P2RY2P2RY4P2RY6TERT
SCHEMBL30211177 0.96 F2 (0.62) F2P2RY2P2RY4P2RY6TERT
SCHEMBL29357819 0.96 F2 (0.62) F2P2RY2P2RY4P2RY6TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110741096-B Compositions and methods for detecting circulating tumor DNA 奎斯特诊断投资有限责任公司 2023-07-14 — — CN claimed
CN-111868260-B Methods and materials for assessing and treating cancer 约翰斯霍普金斯大学 2025-02-21 — — CN disclosed
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