SCHEMBL25273685

SCHEMBL25273685

CNc1nc(Cl)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
BRD4 O60885 1/20 0.43
HTR6 P50406 5/20 0.41
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ACVR1 Q04771 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 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
SCHEMBL31052395 1.00 L3MBTL1 (0.48) L3MBTL1BRD4HTR6PKMALDH1A1
SCHEMBL32667896 0.88 SMN1; SMN2 (0.46) L3MBTL1BRD4PKMALDH1A1HTT
SCHEMBL15426836 0.85 L3MBTL1 (0.53) L3MBTL1BRD4HTR6PKMALDH1A1
SCHEMBL1015374 0.84 L3MBTL1 (0.52) L3MBTL1BRD4HTR6PKMALDH1A1
SCHEMBL4724390 0.83 L3MBTL1 (0.51) L3MBTL1BRD4HTR6PKMALDH1A1
SCHEMBL4793803 0.82 L3MBTL1 (0.50) L3MBTL1BRD4HTR6PKMALDH1A1
SCHEMBL31246107 0.82 L3MBTL1 (0.50) L3MBTL1BRD4HTR6PKMALDH1A1
SCHEMBL31052234 0.82 L3MBTL1 (0.45) L3MBTL1BRD4HTR6RAPGEF4CA1
SCHEMBL25273851 0.82 L3MBTL1 (0.45) L3MBTL1BRD4HTR6RAPGEF4CA1
SCHEMBL31052307 0.82 L3MBTL1 (0.45) L3MBTL1BRD4HTR6PKMALDH1A1

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
WO-2023103898-A1 COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-06-15 WO disclosed