SCHEMBL29599383

SCHEMBL29599383

CN1C(=O)[C@@](O)(C#Cc2cccc(-c3cccc(C(N)=O)n3)c2)[C@H]2C[C@H]21

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.64
▸ PKD1 P98161 2/20 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
SCHEMBL29600148 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL29600492 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL29600559 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899371 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899364 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899366 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899365 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL29599607 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL20929168 1.00 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899689 1.00 MAP3K14 (0.64) 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
CN-109863142-B 2-azabicyclo [3.1.0] hex-3-one derivatives and methods of use 豪夫迈·罗氏有限公司 2022-06-10 — — CN disclosed
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