SCHEMBL16087008

SCHEMBL16087008

COc1cc2ncnc(Nc3cc(S(=O)(=O)N(C)OC(=O)C(F)(F)F)c(F)cc3OCC(F)(F)F)c2c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.56
▸ TNNI3K Q59H18 5/20 0.56
▸ MKNK2 Q9HBH9 14/20 0.37
▸ EGFR P00533 1/20 0.37
▸ MKNK1 Q9BUB5 3/20 0.37

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
SCHEMBL16086932 0.89 BRAF (0.56) BRAFTNNI3KMKNK2EGFRMKNK1
Trifluoroacetic Acid SCHEMBL12003785 0.83 TNNI3K (0.67) BRAFTNNI3KMKNK2EGFRMKNK1
SCHEMBL1802621 0.83 TNNI3K (0.73) BRAFTNNI3KMKNK2EGFRMKNK1
SCHEMBL16087070 0.82 BRAF (0.48) BRAFTNNI3KMKNK2EGFRMKNK1
SCHEMBL16087032 0.80 BRAF (0.53) BRAFTNNI3KMKNK2EGFRMKNK1
SCHEMBL16086890 0.79 BRAF (0.54) BRAFTNNI3KEGFR
SCHEMBL16086878 0.79 TNNI3K (0.56) BRAFTNNI3KMKNK2EGFRMKNK1
SCHEMBL16086930 0.76 BRAF (0.53) BRAFTNNI3KMKNK2MKNK1
SCHEMBL14323474 0.74 TNNI3K (0.55) BRAFTNNI3KEGFR
SCHEMBL14323546 0.73 BRAF (0.45) BRAFTNNI3K

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
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 — — EP disclosed
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