SCHEMBL16517336

SCHEMBL16517336

CN1CCC(O)(C#Cc2cccc(-n3nc(C(N)=O)c4c(Cl)cccc43)c2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 1.00

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
SCHEMBL16532281 1.00 MAP3K14 (1.00) MAP3K14
SCHEMBL16517292 0.92 MAP3K14 (0.85) MAP3K14
SCHEMBL16547149 0.91 MAP3K14 (0.83) MAP3K14
SCHEMBL16532466 0.90 MAP3K14 (0.81) MAP3K14
SCHEMBL16532333 0.88 MAP3K14 (1.00) MAP3K14
SCHEMBL16532301 0.88 MAP3K14 (1.00) MAP3K14
SCHEMBL16517059 0.85 MAP3K14 (1.00) MAP3K14
SCHEMBL16547201 0.85 MAP3K14 (0.83) MAP3K14
SCHEMBL16532659 0.85 MAP3K14 (1.00) MAP3K14
SCHEMBL16532280 0.84 MAP3K14 (0.81) 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
Send feedback