SCHEMBL1822045

SCHEMBL1822045

Cc1cc(C(C)(O)C#Cc2ccc(O[C@H]3CCOC3)c(Nc3nc(N)ncc3Cl)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 17/20 0.45
PAK4 O96013 3/20 0.43

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
SCHEMBL1822048 1.00 MAP3K14 (0.45) MAP3K14PAK4
SCHEMBL1614185 0.96 MAP3K14 (0.49) MAP3K14PAK4
SCHEMBL1613528 0.88 PAK4 (0.49) MAP3K14PAK4
SCHEMBL12743916 0.86 ERBB2 (0.35) MAP3K14
SCHEMBL1822232 0.84 MAP3K14 (0.64) MAP3K14
SCHEMBL1614900 0.84 MAP3K14 (0.64) MAP3K14
SCHEMBL1614897 0.84 MAP3K14 (0.64) MAP3K14
SCHEMBL1611642 0.82 MAP3K14 (0.50) MAP3K14PAK4
SCHEMBL1613979 0.82 PAK4 (0.46) MAP3K14PAK4
SCHEMBL1613974 0.82 PAK4 (0.46) MAP3K14PAK4

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