SCHEMBL16533788

SCHEMBL16533788

C=C(C)c1nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)nc2c1ccn2C

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.55

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
SCHEMBL16517259 0.90 MAP3K14 (0.58) MAP3K14
SCHEMBL16505718 0.90 MAP3K14 (0.68) MAP3K14
SCHEMBL16505112 0.86 MAP3K14 (0.56) MAP3K14
SCHEMBL16505551 0.80 MAP3K14 (0.59) MAP3K14
SCHEMBL16505281 0.79 MAP3K14 (0.67) MAP3K14
SCHEMBL16517404 0.79 MAP3K14 (0.57) MAP3K14
SCHEMBL16505130 0.78 MAP3K14 (0.65) MAP3K14
SCHEMBL16505129 0.78 MAP3K14 (0.65) MAP3K14
SCHEMBL16505615 0.77 MAP3K14 (0.75) MAP3K14
SCHEMBL16533800 0.76 MAP3K14 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
Send feedback