SCHEMBL30765265

SCHEMBL30765265

Cn1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)N5CCC(O)CC5)c4)c3o2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
IRAK1 P51617 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAP3K7 O43318 4/20 0.38
TAB1 Q15750 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
BRD4 O60885 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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 0.91 IRAK4 (0.38) NPSR1IRAK1IRAK4MAP3K7TAB1
SCHEMBL30765283 0.91 IRAK4 (0.38) NPSR1IRAK1IRAK4MAP3K7TAB1
SCHEMBL30765309 0.88 ACVR1 (0.41) NPSR1CCNA2CDK2IRAK4ALDH1A1
SCHEMBL27260718 0.88 ACVR1 (0.41) NPSR1CCNA2CDK2IRAK4ALDH1A1
SCHEMBL27260725 0.84 KCNH2 (0.40) IRAK1IRAK4MAP3K7TAB1BRD4
SCHEMBL30765350 0.84 PIK3CD (0.41) NPSR1CCNA2CDK2IRAK1IRAK4
SCHEMBL27260617 0.84 KCNH2 (0.47) MAP3K7TAB1BRD4
SCHEMBL30765338 0.83 RET (0.45) IRAK1
SCHEMBL724751 0.80 MAP3K7 (0.47) IRAK1MAP3K7TAB1BRD4
SCHEMBL27260728 0.79 BRD4 (0.49) SYKIRAK1IRAK4BRD4

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