SCHEMBL16533816

SCHEMBL16533816

CN1CCC(O)(C#Cc2cccc(-c3nc(N[C@@H]4CCOC4)cc(C(N)=O)n3)c2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.65
▸ 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
SCHEMBL16505655 1.00 MAP3K14 (0.65) MAP3K14PKD1
SCHEMBL16516869 1.00 MAP3K14 (0.65) MAP3K14PKD1
SCHEMBL16505796 0.92 MAP3K14 (0.71) MAP3K14PKD1
SCHEMBL16505370 0.85 MAP3K14 (0.75) MAP3K14PKD1
SCHEMBL16505432 0.84 MAP3K14 (0.56) MAP3K14
SCHEMBL16505433 0.84 MAP3K14 (0.56) MAP3K14
SCHEMBL16505904 0.84 MAP3K14 (0.56) MAP3K14
SCHEMBL16505010 0.81 MAP3K14 (0.79) MAP3K14PKD1
SCHEMBL16505007 0.81 MAP3K14 (0.79) MAP3K14PKD1
SCHEMBL16505948 0.81 MAP3K14 (0.79) 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-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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