SCHEMBL16516932

SCHEMBL16516932

CC(O)(C#Cc1cccc(-n2nc(C(=O)O)c3ccccc32)c1)c1ncco1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 18/20 0.66
▸ STAT1 P42224 2/20 0.37

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
SCHEMBL16532547 0.92 MAP3K14 (0.78) MAP3K14
SCHEMBL17920995 0.92 MAP3K14 (0.78) MAP3K14
SCHEMBL16532546 0.92 MAP3K14 (0.78) MAP3K14
SCHEMBL16532435 0.90 MAP3K14 (0.63) MAP3K14
SCHEMBL16517550 0.84 MAP3K14 (0.66) MAP3K14STAT1
SCHEMBL16532298 0.79 MAP3K14 (1.00) MAP3K14
SCHEMBL16532368 0.79 MAP3K14 (0.81) MAP3K14
SCHEMBL16532476 0.78 MAP3K14 (0.79) MAP3K14
SCHEMBL16532583 0.77 MAP3K14 (0.84) MAP3K14
SCHEMBL16532303 0.77 MAP3K14 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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