SCHEMBL10459031

SCHEMBL10459031

Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 15/20 1.00
ADORA2A P29274 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL10432751 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL10432710 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL10432216 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL26382105 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL12280207 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL2421602 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL12280226 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
SCHEMBL29430167 1.00 AHCY (1.00) AHCYADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL2418621 0.99 AHCY (0.97) AHCYADORA2AADORA2BADORA3
Hydrochloric Acid SCHEMBL2412642 0.99 AHCY (0.97) AHCYADORA2AADORA2BADORA3

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
JP-2237981-A None JP disclosed
JP-H02237981-A HETEROCYCLIC COMPOUND WELLCOME FOUND LTD:THE 1990-09-20 JP disclosed