SCHEMBL19915335

SCHEMBL19915335

CC1CN(C)C(=O)C1(O)C#Cc1cccc(-c2cccc(C(N)=O)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.67
▸ PKD1 P98161 1/20 0.54

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
SCHEMBL19914939 0.90 MAP3K14 (0.54) MAP3K14PKD1
SCHEMBL20929167 0.85 MAP3K14 (0.65) MAP3K14PKD1
SCHEMBL20929430 0.83 MAP3K14 (0.62) MAP3K14PKD1
SCHEMBL20929431 0.83 MAP3K14 (0.62) MAP3K14PKD1
SCHEMBL20929168 0.82 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899371 0.82 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899366 0.82 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899365 0.82 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL19899364 0.82 MAP3K14 (0.64) MAP3K14PKD1
SCHEMBL29599607 0.82 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
WO-2018037058-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 — — WO disclosed
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