SCHEMBL18055773

SCHEMBL18055773

CCOC(=O)c1nc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)c(F)cc2F)sc1C

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.60

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
SCHEMBL18055774 0.89 MAP3K14 (0.65) MAP3K14
SCHEMBL18039371 0.89 MAP3K14 (0.65) MAP3K14
SCHEMBL18039545 0.88 MAP3K14 (0.77) MAP3K14
SCHEMBL15193368 0.76 MAP3K14 (0.80) MAP3K14
SCHEMBL16532292 0.75 MAP3K14 (1.00) MAP3K14
SCHEMBL15192774 0.75 MAP3K14 (0.80) MAP3K14
SCHEMBL15192769 0.75 MAP3K14 (0.80) MAP3K14
SCHEMBL15193197 0.75 MAP3K14 (0.80) MAP3K14
SCHEMBL15192002 0.73 MAP3K14 (0.80) MAP3K14
SCHEMBL16505646 0.72 MAP3K14 (0.53) 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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