SCHEMBL18039624

SCHEMBL18039624

CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(=O)O)c(NC4COC4)s3)c2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.63

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
SCHEMBL18039374 0.93 MAP3K14 (0.71) MAP3K14
SCHEMBL18055879 0.90 MAP3K14 (0.59) MAP3K14
SCHEMBL18039479 0.83 MAP3K14 (0.61) MAP3K14
SCHEMBL18039600 0.82 MAP3K14 (0.62) MAP3K14
SCHEMBL18039447 0.81 MAP3K14 (0.77) MAP3K14
SCHEMBL18039305 0.80 MAP3K14 (0.82) MAP3K14
SCHEMBL18039454 0.80 MAP3K14 (0.59) MAP3K14
SCHEMBL18055867 0.79 MAP3K14 (0.64) MAP3K14
SCHEMBL16505921 0.79 MAP3K14 (0.58) MAP3K14
SCHEMBL16505654 0.79 MAP3K14 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262035-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2018-01-03 — — EP disclosed
WO-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 — — WO disclosed
WO-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 — — WO disclosed
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