SCHEMBL16532403

SCHEMBL16532403

Cc1ccc2c(C(N)=O)nn(-c3cccc(C#CCC(=O)N(C)CCO)c3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.55
PKD1 P98161 2/20 0.41

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
SCHEMBL16532404 0.82 MAP3K14 (0.54) MAP3K14
SCHEMBL18673433 0.79 MAP3K14 (0.56) MAP3K14
SCHEMBL18673393 0.79 MAP3K14 (0.56) MAP3K14
SCHEMBL16532381 0.79 MAP3K14 (0.57) MAP3K14
SCHEMBL18673498 0.79 MAP3K14 (0.57) MAP3K14
SCHEMBL17922421 0.78 MAP3K14 (0.55) MAP3K14
SCHEMBL16532351 0.77 MAP3K14 (0.56) MAP3K14PKD1
SCHEMBL18673477 0.75 MAP3K14 (0.64) MAP3K14
SCHEMBL18888085 0.74 MAP3K14 (0.53) MAP3K14PKD1
SCHEMBL16532343 0.71 MAP3K14 (1.00) MAP3K14PKD1

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-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed