SCHEMBL25823819

SCHEMBL25823819

CC(=O)Nc1ncnc2c1[nH]c(=O)n2C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
BRAF P15056 1/20 0.34
RET P07949 3/20 0.34
KDR P35968 2/20 0.34
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL25824559 0.83 BRD4 (0.50) HTTNPC1RAB9APOLBVCP
SCHEMBL25823816 0.74 TLR7 (0.46) KDM4EALDH1A1HTTRETKDR
SCHEMBL26779045 0.69 SLC6A5 (0.42) KDM4EALDH1A1HTTRXFP1L3MBTL1
SCHEMBL26779026 0.69 CDK1 (0.37) ALDH1A1FEN1RXFP1BRAFMEN1
SCHEMBL26779074 0.68 CDK1 (0.41) KDM4EALDH1A1HTTRXFP1L3MBTL1
SCHEMBL3619552 0.67 HIF1A (0.43) SMN1; SMN2
SCHEMBL27054264 0.66 ADORA2A (0.43) ALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL26800760 0.66 CDK1 (0.58) KDM4EALDH1A1HTTRXFP1L3MBTL1
SCHEMBL23240669 0.65 BRD4 (0.53) ALDH1A1HTTNPC1RAB9ACYP2C9
SCHEMBL16513126 0.65 BRAF (0.45) KDM4EL3MBTL1BRAFNPC1RAB9A

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
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 US disclosed