SCHEMBL30727802

SCHEMBL30727802

O=c1[nH]cc(-c2cc3c(N4CCC(CCO)C4)ncnc3s2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.40
KDM4E B2RXH2 9/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 10/20 0.38
NAMPT P43490 2/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
TYMP P19971 2/20 0.36
KRAS P01116 1/20 0.36
MAPK1 P28482 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL30727708 0.93 LRRK2 (0.40) ENPP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30727648 0.86 KDM4E (0.37) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31399866 0.79 ALDH1A1 (0.42) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30727599 0.78 KDM4E (0.37) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30727616 0.77 LPL (0.40) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31399896 0.77 ALDH1A1 (0.39) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30727577 0.76 KIT (0.38) KDM4EMEN1KMT2AALDH1A1HTT
Formic Acid SCHEMBL30727697 0.76 LPL (0.39) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31399893 0.76 ALDH1A1 (0.40) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30727620 0.75 PDE10A (0.41) KRASLRRK2

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 4 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
EP-4532495-A1 CD73 INHIBITOR COMPOUNDS Adorx therapeutics Limited (GB) 2025-04-09 EP disclosed
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 CN disclosed
WO-2023233130-A1 CD73 INHIBITOR COMPOUNDS AdoRx Therapeutics Limited (GB) 2023-12-07 WO disclosed