SCHEMBL30122338

SCHEMBL30122338

[2H]C([2H])([2H])n1c(=O)c(Br)cc2c(OC)nc(C)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.35
PKM P14618 1/20 0.35
PIK3CA P42336 4/20 0.33
ALDH1A1 P00352 4/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAT2A P31153 1/20 0.32
SOS1 Q07889 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 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
SCHEMBL23326645 0.90 RXFP1 (0.40) RXFP1PKMPIK3CAALDH1A1GAA
SCHEMBL29861864 0.90 RXFP1 (0.40) RXFP1PKMPIK3CAALDH1A1GAA
SCHEMBL30122319 0.80 CA1 (0.31)
SCHEMBL30122280 0.80 PIK3CA (0.34) RXFP1PIK3CAALDH1A1GAAHPGD
SCHEMBL25743161 0.76 PIK3CA (0.41) RXFP1PKMPIK3CAALDH1A1GAA
SCHEMBL30122255 0.75 MAT2A (0.42) RXFP1PKMALDH1A1GAAHPGD
SCHEMBL24582789 0.70 PKM (0.35) RXFP1PKMMAT2A
SCHEMBL29918620 0.70 CRHR1 (0.31) PIK3CA
SCHEMBL25396743 0.70 ALDH1A1 (0.38) RXFP1PIK3CAALDH1A1GAAHPGD
SCHEMBL23326846 0.69 POLB (0.38) RXFP1PKMALDH1A1GAAHPGD

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