SCHEMBL27329800

SCHEMBL27329800

C#CCSc1nc2c(-c3ccc(Cl)cc3)c(C3CC3)nn2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ARF6 P62330 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ PSD A5PKW4 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27329050 0.90 ARF6 (0.35) ARF6XDHCXCR2KDM1AALDH1A1
SCHEMBL27329142 0.87 CXCR2 (0.35) ARF6XDHCXCR2KDM1AALDH1A1
SCHEMBL27329549 0.86 MEN1 (0.31) MEN1KMT2AXDHPSDALOX12
SCHEMBL27329187 0.84 HPGD (0.34) ARF6XDHALDH1A1
SCHEMBL30992355 0.83 MAPKAPK2 (0.32) —
SCHEMBL27329679 0.82 KDM1A (0.40) MEN1KMT2AXDHPTGS2CXCR2
SCHEMBL27329693 0.82 ALDH1A1 (0.37) MEN1KMT2AXDHPTGS2KDM1A
SCHEMBL27329696 0.81 XDH (0.34) MEN1KMT2AXDHPTGS2KDM1A
SCHEMBL27329413 0.81 HAVCR2 (0.37) MEN1KMT2AXDHPTGS2KDM1A
SCHEMBL27329160 0.81 ADORA2A (0.32) XDHALDH1A1

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-2024129881-A1 COMPOUNDS, COMPOSITIONS, AND MEZHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN MISFOLDING WAVEBREAK THERAPEUTICS LIMITED (US) 2024-06-20 — — WO disclosed
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