SCHEMBL18673431

SCHEMBL18673431

COc1ccc2c(C(N)O)nn(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)c2n1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.76
▸ PKD1 P98161 1/20 0.56

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
SCHEMBL18673445 0.90 MAP3K14 (0.75) MAP3K14PKD1
SCHEMBL16516964 0.87 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16516963 0.87 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL18888015 0.83 MAP3K14 (0.74) MAP3K14
SCHEMBL18888234 0.80 MAP3K14 (0.75) MAP3K14
SCHEMBL17920957 0.79 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16517416 0.77 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517418 0.77 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL18888121 0.77 MAP3K14 (0.69) MAP3K14
SCHEMBL18888119 0.76 MAP3K14 (0.77) 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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