SCHEMBL31324362

SCHEMBL31324362

CC(C)(O)Cn1cc2cc(N)c(-c3ccsc3)cc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GFER P55789 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ FGFR1 P11362 1/20 0.31

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
SCHEMBL31324364 0.89 IRAK4 (0.41) CYP2A6MEN1KMT2AGFERRAB9A
SCHEMBL31324323 0.82 ERN1 (0.35) MEN1KMT2AGFERKDM1AIRAK4
SCHEMBL31351006 0.80 KDM1A (0.33) KDM1AIRAK4TLR8TLR7FFAR1
SCHEMBL31350907 0.80 HTR1D (0.41) CYP2A6MEN1KMT2AGFERRAB9A
SCHEMBL31351323 0.75 HDAC3 (0.44) PIK3CAPIK3CB
SCHEMBL31350834 0.75 CHEK2 (0.33) MEN1KMT2AGFERIRAK4ALDH1A1
SCHEMBL31351070 0.74 IRAK4 (0.43) IRAK4PIK3CB
SCHEMBL31351158 0.71 IRAK4 (0.43) IRAK4
SCHEMBL31351004 0.70 IRAK4 (0.40) IRAK4BACE1HRH1HRH4HRH3
SCHEMBL17448068 0.67 KLKB1 (0.37) MEN1KMT2AIRAK4BACE1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025003988-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 — — WO disclosed
WO-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 — — WO disclosed
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