SCHEMBL16532446

SCHEMBL16532446

CN1CC[C@](C#Cc2cccc(-n3nc(C(N)=O)c4c3C[C@@]3(C)C(C4)C3(F)F)c2)(N=O)C1=O

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.81

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
SCHEMBL17922414 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16532325 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16534174 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16532269 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16532445 0.90 MAP3K14 (0.66) MAP3K14
SCHEMBL16547188 0.85 MAP3K14 (0.85) MAP3K14
SCHEMBL16547189 0.85 MAP3K14 (0.85) MAP3K14
SCHEMBL16534393 0.84 MAP3K14 (0.87) MAP3K14
SCHEMBL16534170 0.84 MAP3K14 (0.87) MAP3K14
SCHEMBL16534160 0.80 MAP3K14 (0.81) MAP3K14

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-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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