SCHEMBL31351241

SCHEMBL31351241

CN(C)CCn1cc2cc(NC(=O)c3csc(-c4cccc(O)c4)n3)c(-c3ccoc3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 17/20 0.46
▸ IRAK1 P51617 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HPGDS O60760 1/20 0.39
▸ FLT3 P36888 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ FYN P06241 1/20 0.35

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
SCHEMBL31350933 0.90 IRAK4 (0.48) IRAK4IRAK1HPGDSFLT3
SCHEMBL31351018 0.90 IRAK4 (0.49) IRAK4IRAK1KCNH2CHEK1
SCHEMBL31351088 0.88 IRAK4 (0.47) IRAK4IRAK1KCNH2CHEK1
SCHEMBL31351243 0.86 IRAK4 (0.50) IRAK4IRAK1KCNH2FLT3
SCHEMBL31351179 0.82 IRAK4 (0.49) IRAK4IRAK1FLT3CHEK1
SCHEMBL31351078 0.82 IRAK4 (0.47) IRAK4IRAK1FLT3
SCHEMBL31350862 0.81 IRAK4 (0.49) IRAK4IRAK1KCNH2FLT3
SCHEMBL31351278 0.81 IRAK4 (0.48) IRAK4IRAK1FLT3
SCHEMBL31351016 0.80 IRAK4 (0.41) IRAK4IRAK1FLT3
SCHEMBL31350975 0.79 IRAK4 (0.51) IRAK4IRAK1FLT3CHEK1

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-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 — — WO disclosed
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