SCHEMBL16517217

SCHEMBL16517217

CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(=O)O)c4ccccc43)c2)C1=O

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.85

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
SCHEMBL16532271 0.92 MAP3K14 (1.00) MAP3K14
SCHEMBL17912264 0.86 MAP3K14 (0.85) MAP3K14
SCHEMBL16517775 0.86 MAP3K14 (0.85) MAP3K14
SCHEMBL16517274 0.82 MAP3K14 (1.00) MAP3K14
SCHEMBL16532289 0.82 MAP3K14 (1.00) MAP3K14
SCHEMBL16532400 0.81 MAP3K14 (1.00) MAP3K14
SCHEMBL16532315 0.81 MAP3K14 (1.00) MAP3K14
SCHEMBL16517265 0.80 MAP3K14 (1.00) MAP3K14
SCHEMBL16532468 0.80 MAP3K14 (0.83) MAP3K14
SCHEMBL16516957 0.79 MAP3K14 (0.76) 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-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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