SCHEMBL20629107

SCHEMBL20629107

NC[C@]1(CCO)O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ PI4KA P42356 2/20 0.51
▸ PI4K2B Q8TCG2 2/20 0.51
▸ PI4K2A Q9BTU6 2/20 0.51
▸ PI4KB Q9UBF8 2/20 0.51
▸ DPP4 P27487 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC28A1 O00337 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ GAPDH P04406 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ STAT6 P42226 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ DOT1L Q8TEK3 1/20 0.51

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
SCHEMBL16374026 0.91 ADORA3 (0.54) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL16373916 0.91 ADORA3 (0.54) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL15070711 0.85 ADORA3 (0.53) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL15070701 0.84 AHCY (0.54) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL31652878 0.84 ADORA3 (0.52) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL15070706 0.84 ADORA3 (0.52) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL26311766 0.80 ADORA3 (0.55) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL749583 0.79 PI4KA (0.56) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL749584 0.79 PI4KA (0.56) ADORA3POLBPI4KAPI4K2BPI4K2A
SCHEMBL13146051 0.79 PI4KA (0.56) ADORA3POLBPI4KAPI4K2BPI4K2A

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
EP-3424938-A1 4'-AZIDOALKYL-SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Alios Biopharma, Inc. (US) 2019-01-09 — — EP disclosed
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