SCHEMBL28075261

SCHEMBL28075261

O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(C4CC4)c3c2)c1F)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.76
▸ MAP3K20 Q9NYL2 6/20 0.61

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
SCHEMBL21046887 0.89 BRAF (0.68) BRAFMAP3K20
SCHEMBL21046769 0.85 BRAF (0.77) BRAFMAP3K20
SCHEMBL28074722 0.85 BRAF (1.00) BRAFMAP3K20
SCHEMBL21047024 0.83 BRAF (0.61) BRAFMAP3K20
SCHEMBL22374557 0.83 BRAF (0.74) BRAFMAP3K20
SCHEMBL21047210 0.81 BRAF (1.00) BRAFMAP3K20
SCHEMBL28074716 0.81 MAP3K20 (0.53) BRAFMAP3K20
SCHEMBL28075306 0.78 BRAF (0.72) BRAFMAP3K20
SCHEMBL28074715 0.78 BRAF (0.73) BRAFMAP3K20
SCHEMBL21046838 0.78 BRAF (0.70) BRAFMAP3K20

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
CN-105732614-A Sulfonamide aryl acetylene compound and use thereof 中国科学院广州生物医药与健康研究院 2016-07-06 — — CN disclosed
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