SCHEMBL28074741

SCHEMBL28074741

O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 1.00
MAP3K20 Q9NYL2 9/20 0.76

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
SCHEMBL21046714 0.92 BRAF (0.85) BRAFMAP3K20
SCHEMBL21047158 0.92 BRAF (1.00) BRAFMAP3K20
SCHEMBL21046746 0.92 BRAF (0.85) BRAFMAP3K20
SCHEMBL21046946 0.92 BRAF (0.85) BRAFMAP3K20
SCHEMBL21046876 0.91 BRAF (0.82) BRAFMAP3K20
SCHEMBL21046722 0.90 BRAF (0.81) BRAFMAP3K20
SCHEMBL21046779 0.89 BRAF (0.81) BRAFMAP3K20
SCHEMBL21046833 0.89 BRAF (0.81) BRAFMAP3K20
SCHEMBL21048164 0.89 MAP3K20 (0.81) BRAFMAP3K20
SCHEMBL21046937 0.89 BRAF (0.81) 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