SCHEMBL28967127

SCHEMBL28967127

CC(C)C(N)CCCOCn1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.51
▸ ADORA1 P30542 4/20 0.51
▸ ENPP1 P22413 2/20 0.51
▸ PI4KA P42356 2/20 0.50
▸ PI4K2B Q8TCG2 2/20 0.50
▸ PI4K2A Q9BTU6 2/20 0.50
▸ PI4KB Q9UBF8 2/20 0.50
▸ NT5E P21589 1/20 0.50
▸ ADORA2B P29275 1/20 0.48
▸ ADCY5 O95622 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NSD3 Q9BZ95 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ AHCY P23526 2/20 0.44

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
SCHEMBL20096700 0.80 ADORA2A (0.64) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL20096689 0.79 ADORA2A (0.66) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL30292313 0.78 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13724155 0.78 MEN1 (0.65) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL11247503 0.78 ENPP1 (0.60) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL29385353 0.77 ADORA2A (0.57) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL18786971 0.77 ADORA2A (0.57) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL13723744 0.77 ENPP1 (0.57) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL2293269 0.77 ADORA2A (0.66) ADORA2AADORA1ENPP1PI4KAPI4K2B
SCHEMBL10566016 0.77 ENPP1 (0.59) ADORA2AADORA1ENPP1PI4KAPI4K2B

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-115803033-A Modified adenosine nucleosides for the treatment of viral infections 詹皮特罗·亚切蒂尼 2023-03-14 — — CN disclosed
Send feedback