SCHEMBL28074825

SCHEMBL28074825

COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc12

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K20 Q9NYL2 11/20 0.78
▸ BRAF P15056 12/20 0.77
▸ KIT P10721 1/20 0.70
▸ FRK P42685 1/20 0.70
▸ SIK1 P57059 1/20 0.70
▸ MAP2K5 Q13163 1/20 0.70
▸ AURKB Q96GD4 1/20 0.70
▸ SRMS Q9H3Y6 1/20 0.70

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
SCHEMBL28074866 0.94 MAP3K20 (0.77) MAP3K20BRAFKITFRKSIK1
SCHEMBL28075289 0.91 MAP3K20 (0.86) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074726 0.89 BRAF (0.84) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074717 0.88 MAP3K20 (0.86) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074832 0.87 MAP3K20 (1.00) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074826 0.87 MAP3K20 (0.81) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074719 0.86 BRAF (0.76) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074813 0.84 BRAF (0.79) MAP3K20BRAFKITFRKSIK1
SCHEMBL28074722 0.84 BRAF (1.00) MAP3K20BRAFKITFRKSIK1
SCHEMBL28830158 0.83 BRAF (0.73) MAP3K20BRAFKITFRKSIK1

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