SCHEMBL16533802

SCHEMBL16533802

C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2nc(C(N)=O)c3ccccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.61

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
SCHEMBL16505615 0.90 MAP3K14 (0.75) MAP3K14
SCHEMBL16522779 0.86 MAP3K14 (0.56) MAP3K14
SCHEMBL16522746 0.81 MAP3K14 (0.63) MAP3K14
SCHEMBL16522762 0.81 MAP3K14 (0.61) MAP3K14
SCHEMBL16533793 0.80 MAP3K14 (0.82) MAP3K14
SCHEMBL16505327 0.80 MAP3K14 (0.66) MAP3K14
SCHEMBL16506036 0.80 MAP3K14 (0.67) MAP3K14
SCHEMBL16505016 0.80 MAP3K14 (0.67) MAP3K14
SCHEMBL16505718 0.80 MAP3K14 (0.68) MAP3K14
SCHEMBL16506266 0.79 MAP3K14 (0.68) 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-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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