SCHEMBL31409448

SCHEMBL31409448

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.57
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA2A P29274 5/20 0.54
ADORA3 P0DMS8 3/20 0.54
ADORA2B P29275 3/20 0.51
SLC6A3 Q01959 1/20 0.49

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 1.00 ADORA1 (0.57) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409449 0.92 ADORA1 (0.48) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409447 0.88 ADORA1 (0.45) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31371055 0.84 ALDH1A1 (0.56) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409453 0.82 ADORA1 (0.62) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL4429778 0.82 ADORA1 (0.62) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL13929510 0.81 ALDH1A1 (0.61) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL26012324 0.80 ALDH1A1 (0.57) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL31409451 0.78 ADORA1 (0.49) ADORA1ALDH1A1SMN1; SMN2ADORA2AADORA3
SCHEMBL14464876 0.77 ALDH1A1 (0.63) 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