SCHEMBL18055864

SCHEMBL18055864

COC(=O)c1nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)sc1NC(=O)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.62
▸ PKD1 P98161 1/20 0.51

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
SCHEMBL18055867 0.92 MAP3K14 (0.64) MAP3K14
SCHEMBL18039312 0.92 MAP3K14 (0.72) MAP3K14
SCHEMBL18055821 0.84 MAP3K14 (0.69) MAP3K14
SCHEMBL18055777 0.84 MAP3K14 (0.57) MAP3K14PKD1
SCHEMBL18055814 0.84 MAP3K14 (0.57) MAP3K14PKD1
SCHEMBL18055903 0.83 MAP3K14 (0.62) MAP3K14
SCHEMBL18055833 0.82 MAP3K14 (0.70) MAP3K14
SCHEMBL18055836 0.82 MAP3K14 (0.70) MAP3K14
SCHEMBL18039349 0.82 MAP3K14 (0.70) MAP3K14
SCHEMBL18055778 0.82 MAP3K14 (0.70) 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
WO-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 — — WO disclosed
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