SCHEMBL25575802

SCHEMBL25575802

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.50
▸ ADORA3 P0DMS8 6/20 0.43
▸ AHCY P23526 7/20 0.43
▸ PI4KA P42356 2/20 0.42
▸ PI4K2B Q8TCG2 2/20 0.42
▸ PI4K2A Q9BTU6 2/20 0.42
▸ PI4KB Q9UBF8 2/20 0.42
▸ SLC28A1 O00337 2/20 0.41
▸ SLC28A2 O43868 2/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAP3K7 O43318 1/20 0.41
▸ GAPDH P04406 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DOT1L Q8TEK3 1/20 0.41

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
SCHEMBL16368179 0.89 ADORA2A (0.49) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL29722615 0.89 ADORA2A (0.49) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL16640012 0.89 ADORA2A (0.49) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL18672038 0.82 ADORA2A (0.51) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL16368187 0.79 ADORA2A (0.49) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL29722700 0.79 ADORA2A (0.49) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL23171267 0.75 ADORA2A (0.60) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL16368295 0.75 ADORA2A (0.60) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL29722780 0.75 ADORA2A (0.56) ADORA2AADORA3AHCYPI4KAPI4K2B
SCHEMBL16368190 0.75 ADORA2A (0.56) ADORA2AADORA3AHCYPI4KAPI4K2B

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
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
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