SCHEMBL31399893

SCHEMBL31399893

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 9/20 0.40
MAPK1 P28482 4/20 0.39
POLB P06746 2/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 8/20 0.36
KMT2A Q03164 6/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SIGMAR1 Q99720 1/20 0.35
LRRK2 Q5S007 1/20 0.35
FFAR2 O15552 1/20 0.35
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL31399896 0.92 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL30727576 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL30727708 0.77 LRRK2 (0.40) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL30727802 0.76 ENPP1 (0.40) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL30727648 0.73 KDM4E (0.37) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL30727679 0.73 SELE (0.40) ALDH1A1MAPTLMNAHPGDL3MBTL1
SCHEMBL30727732 0.73 MEN1 (0.59) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL30727675 0.72 MAPT (0.36) MAPTSIGMAR1FFAR2
SCHEMBL30727769 0.72 PIK3CA (0.39) ALDH1A1KDM4EMAPK1POLBGAA
SCHEMBL31399866 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1POLBGAA

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