SCHEMBL31409384

SCHEMBL31409384

CCOC(=O)c1nc2c(o1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
MAPT P10636 2/20 0.41
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.37
MTOR P42345 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRAMD1A Q96CP6 1/20 0.36
ATM Q13315 1/20 0.36
ENPP2 Q13822 1/20 0.35
USP2 O75604 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL740910 0.87 MAPT (0.44) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL31409400 0.84 MAPT (0.44) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL16217179 0.82 MAPT (0.46) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL29222075 0.79 MAPT (0.43) ADORA1MAPTESR2NR1H2SMN1; SMN2
SCHEMBL17327923 0.78 MAPT (0.45) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL31409414 0.78 MAPT (0.45) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL16220569 0.78 MAPT (0.45) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL31409387 0.76 HDAC4 (0.43) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL743031 0.76 MAPT (0.43) ADORA1MAPTESR2NR1H2MTOR
SCHEMBL156126 0.76 NR1H2 (0.41) MAPTNR1H2MTORSMN1; SMN2ALDH1A1

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
WO-2025038920-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed
WO-2025038917-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-02-20 WO disclosed