SCHEMBL24774282

SCHEMBL24774282

CS(=O)(=O)c1nccc(-c2nc(N)nc(-c3ccnc(S(C)(=O)=O)n3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1B Q9Y463 2/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CHEK1 O14757 1/20 0.34
ATR Q13535 1/20 0.34
PDCD1 Q15116 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ROCK1 Q13464 2/20 0.34
PTGS2 P35354 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
PARP1 P09874 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
PTK2 Q05397 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL24774281 0.83 PTGS2 (0.39) KDM4EDYRK1BDYRK1ADYRK2ROCK1
SCHEMBL24773657 0.80 KMO (0.38) DYRK1BDYRK1ADYRK2BPTFMAPK10
SCHEMBL24774090 0.77 DYRK1A (0.35) KDM4EL3MBTL1DYRK1BDYRK1ADYRK2
SCHEMBL24774092 0.75 BPTF (0.37) KDM4EDYRK1BDYRK1ADYRK2LMNA
SCHEMBL1490042 0.74 MTOR (0.37) KDM4EDYRK1BDYRK1ADYRK2ROCK1
SCHEMBL6840084 0.74 KDM4B (0.46) KDM4ELMNAPOLBMAPTRAB9A
SCHEMBL4447801 0.72 BPTF (0.54) KDM4EL3MBTL1PTGS2LMNAPOLB
SCHEMBL28146826 0.72 NPC1 (0.45) KDM4EDYRK1BDYRK1ADYRK2PTGS2
SCHEMBL5361055 0.71 KDM4E (0.52) KDM4EALOX15L3MBTL1PTGS2LMNA
SCHEMBL30122726 0.71 SDHB (0.47) KDM4ELMNAPOLBBPTFMAPK10

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-2022253033-A1 CHEMICAL COUPLING LINKER AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-12-08 WO disclosed