SCHEMBL28626461

SCHEMBL28626461

Cc1ccc(S(=O)(=O)n2ccc3c2ncc2ncn([C@H]4C[C@@H](OS(C)(=O)=O)C4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36
NOD1 Q9Y239 1/20 0.36
JAK1 P23458 8/20 0.36
BRD4 O60885 2/20 0.34
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ACVR1 Q04771 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR6 P50406 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL29172445 0.86 L3MBTL1 (0.36) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL26638302 0.86 L3MBTL1 (0.36) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL26638303 0.84 L3MBTL1 (0.38) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL30798109 0.84 JAK1 (0.39) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL26638292 0.84 JAK1 (0.39) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL26638298 0.83 L3MBTL1 (0.38) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL26638305 0.83 L3MBTL1 (0.37) L3MBTL1HTTPOLBALDH3A1NOD1
SCHEMBL28621769 0.80 JAK1 (0.52) L3MBTL1POLBJAK1JAK2TYK2
SCHEMBL28634235 0.80 JAK1 (0.52) L3MBTL1POLBJAK1JAK2TYK2
SCHEMBL30622213 0.80 JAK1 (0.52) L3MBTL1POLBJAK1JAK2TYK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396150-A Tricyclic JANUS kinase 1 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2021-09-14 CN disclosed