SCHEMBL31350834

SCHEMBL31350834

NC(=O)COCCn1cc2cc(N)c(-c3ccsc3)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ IKBKB O14920 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CHEK1 O14757 2/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.30

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
SCHEMBL31351080 0.86 EIF4E (0.33) MEN1KMT2AGFERIRAK4
SCHEMBL31350854 0.84 MKNK1 (0.34) IRAK4
SCHEMBL31351090 0.84 NPC1 (0.36) IRAK4
SCHEMBL31350945 0.82 IRAK4 (0.31) IRAK4
SCHEMBL31351246 0.78 IRAK4 (0.46) MEN1KMT2AMAPTCHEK1IRAK4
SCHEMBL31324364 0.77 IRAK4 (0.41) MEN1KMT2AGFERIRAK4
SCHEMBL31350907 0.77 HTR1D (0.41) CHEK2MEN1KMT2AGFERIRAK4
SCHEMBL31324362 0.75 CYP2A6 (0.34) CHEK2MEN1KMT2AGFERMAPT
SCHEMBL31351323 0.74 HDAC3 (0.44) CHEK1
SCHEMBL31324391 0.71 HDAC3 (0.38) MAPTALDH1A1HSD17B10IRAK4

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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