SCHEMBL16532523

SCHEMBL16532523

CN1CC[C@](C#Cc2cccc(-n3nc(C(N)=O)c4c3CCC[C@H]4n3cccn3)c2)(N=O)C1=O

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.82

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
SCHEMBL17920993 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16547197 0.90 MAP3K14 (0.84) MAP3K14
SCHEMBL16517364 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16532274 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16547187 0.90 MAP3K14 (0.84) MAP3K14
SCHEMBL16532412 0.80 MAP3K14 (0.81) MAP3K14
SCHEMBL16532439 0.78 MAP3K14 (0.81) MAP3K14
SCHEMBL16532318 0.76 MAP3K14 (1.00) MAP3K14
SCHEMBL16532323 0.76 MAP3K14 (1.00) MAP3K14
SCHEMBL16532446 0.75 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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