SCHEMBL16517451

SCHEMBL16517451

CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(=O)O)nc4ccsc34)c2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.57

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
SCHEMBL16505268 0.92 MAP3K14 (0.63) MAP3K14
SCHEMBL16505488 0.89 MAP3K14 (0.53) MAP3K14
SCHEMBL16505546 0.85 MAP3K14 (0.57) MAP3K14
SCHEMBL16522795 0.81 MAP3K14 (0.64) MAP3K14
SCHEMBL16505407 0.81 MAP3K14 (0.64) MAP3K14
SCHEMBL16506055 0.78 MAP3K14 (0.54) MAP3K14
SCHEMBL16517738 0.77 MAP3K14 (0.67) MAP3K14
SCHEMBL16517668 0.77 MAP3K14 (0.84) MAP3K14
SCHEMBL16517453 0.76 MAP3K14 (0.34) MAP3K14
SCHEMBL16516465 0.76 MAP3K14 (0.59) 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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