SCHEMBL28074715

SCHEMBL28074715

O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]cc(-c4ccccc4Cl)c3c2)c1F)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 17/20 0.73
▸ MAP3K20 Q9NYL2 4/20 0.55
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL28075306 0.90 BRAF (0.72) BRAFMAP3K20CYP3A4
SCHEMBL28074720 0.88 BRAF (0.72) BRAFMAP3K20CYP3A4
SCHEMBL28074745 0.80 BRAF (0.58) BRAFMAP3K20
SCHEMBL28074727 0.80 BRAF (0.56) BRAFMAP3K20CYP3A4
SCHEMBL21047210 0.78 BRAF (1.00) BRAFMAP3K20
SCHEMBL28075261 0.78 BRAF (0.76) BRAFMAP3K20
SCHEMBL21046873 0.77 BRAF (0.72) BRAFMAP3K20
SCHEMBL21046769 0.77 BRAF (0.77) BRAFMAP3K20
SCHEMBL28074722 0.77 BRAF (1.00) BRAFMAP3K20
SCHEMBL21046838 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732614-B Sulfoamido aryl acetylene compound and application thereof 中国科学院广州生物医药与健康研究院 2018-06-12 — — CN disclosed
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
Send feedback