SCHEMBL30122255

SCHEMBL30122255

[2H]C([2H])([2H])n1c(=O)ccc2c(OC)nc(C)nc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.42
ADORA1 P30542 1/20 0.38
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
DYRK1A Q13627 2/20 0.31
CYP19A1 P11511 1/20 0.31
NQO2 P16083 1/20 0.31
CCR4 P51679 1/20 0.30

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
SCHEMBL23326799 0.89 ADORA1 (0.47) MAT2AADORA1PKMRXFP1BRD9
SCHEMBL30122338 0.75 RXFP1 (0.35) MAT2APKMRXFP1ALDH1A1GAA
SCHEMBL25112474 0.69 ADORA1 (0.35) ADORA1LMNA
SCHEMBL24671864 0.67 ADORA1 (0.43) MAT2AADORA1BRD9BRD7ALDH1A1
SCHEMBL23326564 0.67 DYRK1A (0.38) MAT2AADORA1DYRK1A
SCHEMBL29918643 0.67 ADORA1 (0.43) MAT2AADORA1BRD9BRD7ALDH1A1
SCHEMBL23326645 0.67 RXFP1 (0.40) MAT2APKMRXFP1BRD9BRD7
SCHEMBL29861864 0.67 RXFP1 (0.40) MAT2APKMRXFP1BRD9BRD7
SCHEMBL28863519 0.66 ADORA1 (0.39) ADORA1BRD9ALDH1A1GAAHPGD
SCHEMBL29861478 0.66 ADORA1 (0.41) ADORA1BRD9DYRK1A

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-2022212531-A1 PYRIDOPYRIMIDINONE COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2022-10-06 WO disclosed