SCHEMBL13575138

SCHEMBL13575138

CNc1ncc(Cl)c(Nc2cc(C#C[C@@](C)(O)c3nccs3)ccc2CN2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.51
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
TNK2 Q07912 1/20 0.49
NTRK3 Q16288 1/20 0.49
LRRK2 Q5S007 1/20 0.49
AURKB Q96GD4 1/20 0.49
MAP4K4 O95819 1/20 0.46

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
SCHEMBL1612870 0.91 MAP3K14 (0.58) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1613384 0.91 MAP3K14 (0.58) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1612748 0.91 MAP3K14 (0.58) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL12743933 0.76 MAP3K14 (0.40) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL12743915 0.76 MAP3K14 (0.40) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL13575137 0.75 MAP3K14 (0.39) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1613804 0.75 MAP3K14 (0.50) MAP3K14
SCHEMBL1612514 0.72 MAP3K14 (0.58) MAP3K14MAP4K4
SCHEMBL1613896 0.71 MAP3K14 (0.58) MAP3K14MAP4K4
SCHEMBL1612311 0.71 MAP3K14 (0.59) MAP3K14MAP4K4

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-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed