SCHEMBL16516775

SCHEMBL16516775

NC(=O)c1nc(-c2cccc(C#C[C@@]3(CO)CCNC3=O)c2)c(F)cc1NC1COC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.35

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
SCHEMBL16517726 0.87 MAP3K14 (0.34) MAP3K14
SCHEMBL16517497 0.85 MAP3K14 (0.38) MAP3K14
SCHEMBL16517554 0.85 MAP3K14 (0.35) MAP3K14
SCHEMBL16516591 0.85 MAP3K14 (0.35) MAP3K14
SCHEMBL16517221 0.84 MAP3K14 (0.37) MAP3K14
SCHEMBL16517570 0.84 MAP3K14 (0.37) MAP3K14
SCHEMBL16517784 0.83 MAP3K14 (0.37) MAP3K14
SCHEMBL16517009 0.81 PIK3CD (0.34) MAP3K14
SCHEMBL16505921 0.78 MAP3K14 (0.58) MAP3K14
SCHEMBL16505654 0.78 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
Send feedback