SCHEMBL30765283

SCHEMBL30765283

Cn1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)N5CC(O)C5)c4)c3o2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
IRAK1 P51617 6/20 0.36
MAP3K7 O43318 4/20 0.36
TAB1 Q15750 4/20 0.36
BRD4 O60885 2/20 0.36
TLR8 Q9NR97 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TTK P33981 1/20 0.34
MAPK8 P45983 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
SCHEMBL27260809 1.00 IRAK4 (0.38) IRAK4LMNAGAAHPGDHSD17B10
SCHEMBL30765265 0.91 SYK (0.42) IRAK4LMNAGAAHPGDHSD17B10
SCHEMBL30765309 0.86 ACVR1 (0.41) IRAK4LMNAGAAALDH1A1BRD4
SCHEMBL27260718 0.86 ACVR1 (0.41) IRAK4LMNAGAAALDH1A1BRD4
SCHEMBL27260617 0.85 KCNH2 (0.47) MAP3K7TAB1BRD4LOXL2TTK
SCHEMBL30765195 0.84 MAP3K7 (0.37) LMNAGAAHPGDHSD17B10KDM4E
SCHEMBL30765350 0.84 PIK3CD (0.41) IRAK4GAAALDH1A1IRAK1BRD4
SCHEMBL27260725 0.84 KCNH2 (0.40) IRAK4IRAK1MAP3K7TAB1BRD4
SCHEMBL30765338 0.81 RET (0.45) IRAK1
SCHEMBL724751 0.81 MAP3K7 (0.47) IRAK1MAP3K7TAB1BRD4LOXL2

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