SCHEMBL31409449

SCHEMBL31409449

[2H]C([2H])([2H])O[C@H](C)COc1ccc(-c2c(C#N)c(Cl)nc(SCc3ccccn3)c2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.48
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA2A P29274 4/20 0.44
ADORA3 P0DMS8 3/20 0.44
SLC6A3 Q01959 1/20 0.42
ADORA2B P29275 3/20 0.42

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
SCHEMBL31409444 0.92 ADORA1 (0.57) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409448 0.92 ADORA1 (0.57) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409447 0.89 ADORA1 (0.45) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31371026 0.84 ALDH1A1 (0.46) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31371055 0.77 ALDH1A1 (0.56) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409453 0.74 ADORA1 (0.62) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL4429778 0.74 ADORA1 (0.62) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL25363058 0.73 ADORA1 (0.60) ADORA1ALDH1A1SMN1; SMN2ADORA2AADORA3
SCHEMBL30511878 0.73 ADORA1 (0.60) ADORA1ALDH1A1SMN1; SMN2ADORA2AADORA3
SCHEMBL13929510 0.73 ALDH1A1 (0.61) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A

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
WO-2025038783-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS OR CHRONIC HEART FAILURE LUCY THERAPEUTICS, INC. (US) 2025-02-20 WO disclosed