SCHEMBL30765299

SCHEMBL30765299

Cn1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c4)c3o2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 3/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
BRD4 O60885 4/20 0.37
PIK3CA P42336 1/20 0.37
PARG Q86W56 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
RET P07949 1/20 0.36
ACACB O00763 2/20 0.35
TGFBR1 P36897 1/20 0.35
BTK Q06187 1/20 0.34
AURKB Q96GD4 2/20 0.34
MAPK1 P28482 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL27260728 0.87 BRD4 (0.49) IRAK1PIK3CGPIK3CDPIK3CBBRD4
SCHEMBL30765282 0.84 PIK3CG (0.49) PIK3CGPIK3CDPIK3CBPIK3CA
SCHEMBL30765170 0.84 LOXL2 (0.41) IRAK1PIK3CGPIK3CDPIK3CBBRD4
SCHEMBL27260716 0.84 LOXL2 (0.41) IRAK1PIK3CGPIK3CDPIK3CBBRD4
SCHEMBL30765338 0.79 RET (0.45) IRAK1PIK3CARETTGFBR1
SCHEMBL27260617 0.78 KCNH2 (0.47) PIK3CDBRD4
SCHEMBL722232 0.76 IRAK1 (0.40) IRAK1GSK3BDYRK1ARETTGFBR1
SCHEMBL27260725 0.75 KCNH2 (0.40) IRAK1BRD4IRAK4
SCHEMBL724751 0.74 MAP3K7 (0.47) IRAK1PIK3CDBRD4AURKB
SCHEMBL30765283 0.74 IRAK4 (0.38) IRAK1BRD4IRAK4

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed