SCHEMBL1821569

SCHEMBL1821569

CC(O)(C#Cc1ccc(O[C@H]2CCOC2)c(Nc2ccncc2)c1)c1nccs1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.65
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
TNK2 Q07912 1/20 0.46
NTRK3 Q16288 1/20 0.46
LRRK2 Q5S007 1/20 0.46
AURKB Q96GD4 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
SCHEMBL1821574 1.00 MAP3K14 (0.65) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL12742573 0.84 MAP3K14 (0.45) MAP3K14LRRK2
SCHEMBL1614900 0.83 MAP3K14 (0.64) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1614897 0.83 MAP3K14 (0.64) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1822232 0.83 MAP3K14 (0.64) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1613689 0.81 MAP3K14 (0.72) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL28636941 0.79 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL30516449 0.79 MAP3K14 (1.00) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1612839 0.78 MAP3K14 (0.69) MAP3K14JAK1JAK3TNK2NTRK3
SCHEMBL1613171 0.78 MAP3K14 (0.49) MAP3K14JAK1JAK3TNK2NTRK3

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-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed