SCHEMBL30765338

SCHEMBL30765338

Cn1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)c3o2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.45
LRRK2 Q5S007 1/20 0.40
TGM2 P21980 8/20 0.40
F13A1 P00488 6/20 0.40
TGM1 P22735 4/20 0.40
IRAK1 P51617 1/20 0.39
PIK3CA P42336 1/20 0.38
TGFBR1 P36897 1/20 0.37
MET P08581 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL30765265 0.83 SYK (0.42) IRAK1
SCHEMBL27260718 0.83 ACVR1 (0.41) RET
SCHEMBL30765309 0.83 ACVR1 (0.41) RET
SCHEMBL27260809 0.81 IRAK4 (0.38) IRAK1
SCHEMBL30765283 0.81 IRAK4 (0.38) IRAK1
SCHEMBL30765350 0.80 PIK3CD (0.41) IRAK1
SCHEMBL27260617 0.79 KCNH2 (0.47) LRRK2MET
SCHEMBL30765299 0.79 IRAK1 (0.41) RETIRAK1PIK3CATGFBR1
SCHEMBL30765282 0.76 PIK3CG (0.49) PIK3CA
SCHEMBL27260725 0.76 KCNH2 (0.40) IRAK1

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