SCHEMBL28552404

SCHEMBL28552404

CC(C)N(C(C)C)P(OCCC#N)Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.51
▸ ADORA2A P29274 2/20 0.50
▸ ADORA2B P29275 2/20 0.50
▸ DOT1L Q8TEK3 2/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC28A1 O00337 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ SLC28A2 O43868 1/20 0.48
▸ GAPDH P04406 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ STAT6 P42226 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ SLC28A3 Q9HAS3 1/20 0.48

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
SCHEMBL28552389 0.86 SLC29A1 (0.40) SLC29A1ADORA2AADORA2BDOT1LADORA3
SCHEMBL29884287 0.83 ADORA2A (0.44) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL30324473 0.83 ADORA1 (0.55) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL30324459 0.83 ADORA3 (0.54) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL13265481 0.77 SLC29A1 (0.67) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL6903709 0.74 SLC29A1 (0.70) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL9142042 0.74 SLC29A1 (0.70) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL6887353 0.74 SLC29A1 (0.70) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL4081006 0.74 SLC29A1 (0.70) SLC29A1ADORA2AADORA2BDOT1LDPP4
SCHEMBL1979130 0.74 SLC29A1 (0.70) SLC29A1ADORA2AADORA2BDOT1LDPP4

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
CN-112714649-A Novel cyclic dinucleotide derivatives and antibody drug conjugates thereof 第一三共株式会社 2021-04-27 — — CN disclosed
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