SCHEMBL29884287

SCHEMBL29884287

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(O)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SLC29A1 Q99808 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ SLC28A1 O00337 1/20 0.42
▸ MAP3K7 O43318 1/20 0.42
▸ SLC28A2 O43868 1/20 0.42
▸ GAPDH P04406 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ DOT1L Q8TEK3 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ SLC28A3 Q9HAS3 1/20 0.42

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
SCHEMBL30324473 0.91 ADORA1 (0.55) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL30324459 0.85 ADORA3 (0.54) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL28552404 0.83 SLC29A1 (0.51) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL30324503 0.80 KDM4E (0.51) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL30324445 0.79 ADORA1 (0.58) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL29883985 0.79 TYMP (0.40) ADORA2AADORA2BADORA1ADORA3
SCHEMBL26355063 0.77 DOT1L (0.35) ADORA2AADORA2BSMN1; SMN2DOT1LRNMT
SCHEMBL658714 0.76 MEN1 (0.66) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL658713 0.76 MEN1 (0.66) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL20995821 0.76 MEN1 (0.66) ADORA2AADORA2BADORA1MEN1KMT2A

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-115209921-B Antibody drug conjugates comprising cyclic dinucleotide derivatives 第一三共株式会社 2025-06-24 — — CN disclosed
CN-115209921-A Antibody drug conjugates comprising novel cyclic dinucleotide derivatives 第一三共株式会社 2022-10-18 — — CN disclosed
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