SCHEMBL16516817

SCHEMBL16516817

CN1CC[C@@](O)(C#Cc2cc(-c3ccc(N)c(C(=O)O)n3)c(F)cc2F)C1=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.55

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
SCHEMBL16505260 0.93 MAP3K14 (0.64) MAP3K14
SCHEMBL16505646 0.91 MAP3K14 (0.53) MAP3K14
SCHEMBL16522834 0.83 MAP3K14 (0.51) MAP3K14
SCHEMBL16522813 0.81 MAP3K14 (0.59) MAP3K14
SCHEMBL16506396 0.80 MAP3K14 (0.72) MAP3K14
SCHEMBL16506571 0.80 MAP3K14 (0.72) MAP3K14
SCHEMBL16506572 0.80 MAP3K14 (0.72) MAP3K14
SCHEMBL18039371 0.79 MAP3K14 (0.65) MAP3K14
SCHEMBL16505691 0.78 MAP3K14 (0.68) MAP3K14
SCHEMBL16505135 0.76 MAP3K14 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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