SCHEMBL16516976

SCHEMBL16516976

CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(=O)O)c4c(NC5CC5)nccc43)c2)C1=O

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.88
▸ PKD1 P98161 1/20 0.56

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
SCHEMBL16517370 1.00 MAP3K14 (0.88) MAP3K14PKD1
SCHEMBL16517466 0.93 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517469 0.93 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517071 0.93 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16532537 0.93 MAP3K14 (0.85) MAP3K14PKD1
SCHEMBL16534133 0.93 MAP3K14 (0.85) MAP3K14PKD1
SCHEMBL16517318 0.89 MAP3K14 (0.87) MAP3K14PKD1
SCHEMBL16532659 0.84 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16505247 0.83 MAP3K14 (0.84) MAP3K14PKD1
SCHEMBL16517292 0.82 MAP3K14 (0.85) 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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