SCHEMBL18055807

SCHEMBL18055807

CCOC(=O)c1nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)sc1CC

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.66
▸ 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
SCHEMBL18039591 0.91 MAP3K14 (0.67) MAP3K14PKD1
SCHEMBL18039367 0.89 MAP3K14 (0.79) MAP3K14
SCHEMBL18055802 0.88 MAP3K14 (0.63) MAP3K14PKD1
SCHEMBL18039479 0.87 MAP3K14 (0.61) MAP3K14PKD1
SCHEMBL18039625 0.86 MAP3K14 (0.60) MAP3K14PKD1
SCHEMBL18039454 0.85 MAP3K14 (0.59) MAP3K14PKD1
SCHEMBL18055879 0.85 MAP3K14 (0.59) MAP3K14PKD1
SCHEMBL18055777 0.84 MAP3K14 (0.57) MAP3K14PKD1
SCHEMBL18039475 0.84 MAP3K14 (0.57) MAP3K14PKD1
SCHEMBL18055880 0.84 MAP3K14 (0.57) 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-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 — — WO disclosed
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