SCHEMBL31351016

SCHEMBL31351016

CC(C)(O)CCn1cc2cc(NC(=O)Cc3csc(-c4cccc(O)c4)n3)c(-c3ccoc3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 12/20 0.41
▸ IRAK1 P51617 1/20 0.40
▸ FLT3 P36888 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SHMT1 P34896 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 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
SCHEMBL31350933 0.90 IRAK4 (0.48) IRAK4IRAK1FLT3
SCHEMBL31351130 0.88 IRAK4 (0.45) IRAK4IRAK1FLT3FNTAFNTB
SCHEMBL31351179 0.82 IRAK4 (0.49) IRAK4IRAK1FLT3LMNA
SCHEMBL31351078 0.82 IRAK4 (0.47) IRAK4IRAK1FLT3LMNA
SCHEMBL31350862 0.81 IRAK4 (0.49) IRAK4IRAK1FLT3ALDH1A1
SCHEMBL31351278 0.81 IRAK4 (0.48) IRAK4IRAK1FLT3
SCHEMBL31350983 0.80 IRAK4 (0.45) IRAK4IRAK1FLT3
SCHEMBL31351241 0.80 IRAK4 (0.46) IRAK4IRAK1FLT3
SCHEMBL31350975 0.80 IRAK4 (0.51) IRAK4IRAK1FLT3LMNAMAPT
SCHEMBL31351150 0.79 IRAK4 (0.50) IRAK4IRAK1FLT3

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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