SCHEMBL17302275

SCHEMBL17302275

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 14/20 1.00
ADORA2B P29275 1/20 0.69

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
SCHEMBL26382107 1.00 AHCY (1.00) AHCYADORA2B
SCHEMBL15829519 0.86 AHCY (0.76) AHCYADORA2B
Noraristeromycin SCHEMBL26381984 0.86 AHCY (1.00) AHCYADORA2B
Noraristeromycin SCHEMBL19644993 0.86 AHCY (1.00) AHCYADORA2B
Noraristeromycin SCHEMBL8886019 0.86 AHCY (1.00) AHCYADORA2B
Noraristeromycin SCHEMBL17109603 0.86 AHCY (1.00) AHCYADORA2B
Noraristeromycin SCHEMBL17117186 0.86 AHCY (1.00) AHCYADORA2B
Noraristeromycin SCHEMBL29378522 0.86 AHCY (1.00) AHCYADORA2B
Noraristeromycin SCHEMBL1231088 0.86 AHCY (1.00) AHCYADORA2B
SCHEMBL14635767 0.85 AHCY (1.00) AHCYADORA2B

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-2646441-B1 CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS EPIZYME INC (US) 2015-12-02 EP disclosed