SCHEMBL16517448

SCHEMBL16517448

CON(c1ccc(-c2cc(C#C[C@@]3(CO)CCNC3=O)ccc2F)nc1C(N)=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 9/20 0.37

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
SCHEMBL16516820 0.81 MAP3K14 (0.38) MAP3K14
SCHEMBL16517729 0.81 MAP3K14 (0.38) MAP3K14
SCHEMBL16517003 0.79 HCAR3 (0.31) MAP3K14
SCHEMBL16517119 0.79 MAP3K14 (0.40) MAP3K14
SCHEMBL16517784 0.78 MAP3K14 (0.37) MAP3K14
SCHEMBL16517592 0.77 MAP3K14 (0.39) MAP3K14
SCHEMBL16517805 0.73 MAP3K14 (0.39) MAP3K14
SCHEMBL16517572 0.73 MAP3K14 (0.33) MAP3K14
SCHEMBL16516609 0.69 MAP3K14 (0.58) MAP3K14
SCHEMBL16517086 0.69 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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