SCHEMBL31399896

SCHEMBL31399896

CC1(C)CN(c2ncnc3sc(-c4c[nH]c(=O)[nH]c4=O)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
MAPK1 P28482 4/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 11/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 8/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
KRAS P01116 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL31399893 0.92 ALDH1A1 (0.40) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL30727576 0.89 ALDH1A1 (0.38) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL30727708 0.78 LRRK2 (0.40) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL30727802 0.77 ENPP1 (0.40) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL30727679 0.76 SELE (0.40) ALDH1A1MAPTLMNAHPGDL3MBTL1
SCHEMBL30727648 0.74 KDM4E (0.37) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL30727612 0.73 NT5E (0.37) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL31399866 0.72 ALDH1A1 (0.42) ALDH1A1MAPK1POLBKDM4EGAA
SCHEMBL30727598 0.72 NT5E (0.32)
SCHEMBL30727599 0.72 KDM4E (0.37) ALDH1A1MAPK1POLBKDM4EGAA

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
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 CN claimed
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 CN disclosed