SCHEMBL18673437

SCHEMBL18673437

C[C@H]1Cc2c(C(N)=O)nn(-c3cccc(C#CCCN(C)C(=O)O)c3)c2C1

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
SCHEMBL18673438 1.00 MAP3K14 (0.57) MAP3K14
SCHEMBL18673378 0.92 MAP3K14 (0.56) MAP3K14
SCHEMBL18887964 0.92 MAP3K14 (0.56) MAP3K14
SCHEMBL18888093 0.92 MAP3K14 (0.56) MAP3K14
SCHEMBL18673379 0.75 MAP3K14 (0.58) MAP3K14
SCHEMBL16532291 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL18883239 0.73 MAP3K14 (0.82) MAP3K14
SCHEMBL16532272 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL18883240 0.73 MAP3K14 (0.82) MAP3K14
SCHEMBL17920964 0.73 MAP3K14 (0.82) 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
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
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