SCHEMBL9980396

SCHEMBL9980396

CN(C)Cc1ccc(S(N)(=O)=O)cc1Nc1ncnc2[nH]nc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 12/20 0.44
BRAF P15056 6/20 0.44
SLC6A4 P31645 6/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A2 P23975 1/20 0.38
EGFR P00533 1/20 0.34
PTK2 Q05397 1/20 0.33

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
SCHEMBL9980393 0.87 TNNI3K (0.40) TNNI3KBRAFEGFR
SCHEMBL9986097 0.75 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL1806649 0.75 BRAF (0.59) TNNI3KBRAFEGFR
SCHEMBL1804094 0.73 BRAF (0.60) TNNI3KBRAFSLC6A4SLC6A3SLC6A2
SCHEMBL1806890 0.73 BRAF (0.59) TNNI3KBRAFEGFR
SCHEMBL1805553 0.73 BRAF (0.59) TNNI3KBRAFEGFR
SCHEMBL2229060 0.72 SLC6A4 (0.46) TNNI3KSLC6A4SLC6A3SLC6A2EGFR
SCHEMBL12067916 0.72 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL1809417 0.72 BRAF (0.60) TNNI3KBRAFEGFR
SCHEMBL12067874 0.71 TNNI3K (0.63) TNNI3KBRAF

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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed