SCHEMBL16516636

SCHEMBL16516636

CCn1ncc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.57

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
SCHEMBL16506177 0.93 MAP3K14 (0.65) MAP3K14
SCHEMBL16505941 0.92 MAP3K14 (0.55) MAP3K14
SCHEMBL16505602 0.90 MAP3K14 (0.55) MAP3K14
SCHEMBL16522830 0.83 MAP3K14 (0.52) MAP3K14
SCHEMBL16505798 0.83 MAP3K14 (0.69) MAP3K14
SCHEMBL16517278 0.83 MAP3K14 (0.69) MAP3K14
SCHEMBL16517215 0.80 MAP3K14 (0.58) MAP3K14
SCHEMBL16505156 0.80 MAP3K14 (0.65) MAP3K14
SCHEMBL16505006 0.79 MAP3K14 (0.58) MAP3K14
SCHEMBL16505038 0.79 MAP3K14 (0.55) 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