SCHEMBL16087070

SCHEMBL16087070

COc1cc(OC)c2c(Nc3cc(S(=O)(=O)N(C)OC(=O)C(F)(F)F)c(F)cc3OC)ncnc2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.48
▸ TNNI3K Q59H18 2/20 0.48
▸ SRC P12931 2/20 0.45
▸ MKNK2 Q9HBH9 9/20 0.40
▸ EGFR P00533 7/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38

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 0.94 BRAF (0.56) BRAFTNNI3KSRCMKNK2EGFR
SCHEMBL1805579 0.84 BRAF (0.53) BRAFTNNI3KSRCMKNK2EGFR
SCHEMBL16087008 0.82 BRAF (0.56) BRAFTNNI3KMKNK2EGFRMKNK1
Trifluoroacetic Acid SCHEMBL12003611 0.82 BRAF (0.59) BRAFTNNI3KSRCMKNK2EGFR
SCHEMBL16086953 0.80 BRAF (0.53) BRAFTNNI3KSRCMKNK2EGFR
SCHEMBL6912956 0.79 BRAF (0.61) BRAFTNNI3KSRCMKNK2EGFR
Trifluoroacetic Acid SCHEMBL12004218 0.76 TNNI3K (0.67) BRAFTNNI3KSRCMKNK2EGFR
SCHEMBL6910970 0.75 BRAF (0.72) BRAFTNNI3KSRCEGFR
SCHEMBL6911924 0.75 TNNI3K (0.73) BRAFTNNI3KSRCMKNK2EGFR
SCHEMBL14322805 0.75 TNNI3K (0.49) TNNI3KEGFR

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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