SCHEMBL31028764

SCHEMBL31028764

CC(C)(C)OC(=O)N[C@H]1C[C@H](c2cc(Cl)nc(N)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 6/20 0.41
PDPK1 O15530 6/20 0.41
AURKB Q96GD4 6/20 0.41
EPHX2 P34913 1/20 0.40
BTK Q06187 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
JAK3 P52333 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL31028754 0.88 AURKA (0.41) KMT2AL3MBTL1AURKAPDPK1AURKB
SCHEMBL18636734 0.78 LMNA (0.53) HSP90AA1HSP90AB1AURKAPDPK1AURKB
SCHEMBL17832889 0.77 CACNB4 (0.49) HSP90AA1HSP90AB1KMT2AL3MBTL1AURKA
SCHEMBL12119818 0.75 AURKA (0.63) HSP90AA1HSP90AB1AURKAPDPK1AURKB
SCHEMBL30415159 0.75 KMT2A (0.44) KMT2AL3MBTL1EPHX2BTKGAA
SCHEMBL30415164 0.75 KMT2A (0.44) KMT2AL3MBTL1EPHX2BTKGAA
SCHEMBL31741685 0.75 LMNA (0.57) AURKAPDPK1AURKBBTKLMNA
SCHEMBL12118769 0.73 AURKA (0.63) AURKAPDPK1AURKBBTKLMNA
SCHEMBL12119179 0.73 AURKA (0.63) AURKAPDPK1AURKBBTKLMNA
SCHEMBL12119518 0.73 AURKA (0.63) AURKAPDPK1AURKBBTKLMNA

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-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO disclosed