SCHEMBL16517394

SCHEMBL16517394

COCCNc1cnc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccc2F)nc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.51

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
SCHEMBL16505892 0.93 MAP3K14 (0.58) MAP3K14
SCHEMBL16505384 0.93 MAP3K14 (0.58) MAP3K14
SCHEMBL16505809 0.91 MAP3K14 (0.51) MAP3K14
SCHEMBL16505595 0.87 MAP3K14 (0.53) MAP3K14
SCHEMBL16505583 0.82 MAP3K14 (0.59) MAP3K14
SCHEMBL16505265 0.82 MAP3K14 (0.51) MAP3K14
SCHEMBL16505810 0.82 MAP3K14 (0.59) MAP3K14
SCHEMBL16505710 0.81 MAP3K14 (0.52) MAP3K14
SCHEMBL16517397 0.81 MAP3K14 (0.33) MAP3K14
SCHEMBL16505118 0.81 MAP3K14 (0.59) 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