SCHEMBL16516628

SCHEMBL16516628

CN1CCC(O)(C#Cc2cccc(-n3nc(C(=O)O)c4cnc(Cl)cc43)c2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.86

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
SCHEMBL16532262 0.93 MAP3K14 (1.00) MAP3K14
SCHEMBL16532604 0.91 MAP3K14 (0.82) MAP3K14
SCHEMBL17912264 0.87 MAP3K14 (0.85) MAP3K14
SCHEMBL16517775 0.87 MAP3K14 (0.85) MAP3K14
SCHEMBL16517356 0.84 MAP3K14 (1.00) MAP3K14
SCHEMBL16517353 0.84 MAP3K14 (1.00) MAP3K14
SCHEMBL18673544 0.84 MAP3K14 (0.71) MAP3K14
SCHEMBL16517292 0.84 MAP3K14 (0.85) MAP3K14
SCHEMBL16516972 0.83 MAP3K14 (0.86) MAP3K14
SCHEMBL16517459 0.83 MAP3K14 (0.86) 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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