SCHEMBL13575151

SCHEMBL13575151

Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)N(c2nc(N)ncc2Cl)CC32CCS(=O)(=O)CC2)no1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 17/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 3/20 0.44
PRKD1 Q15139 2/20 0.40

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
SCHEMBL1612537 1.00 MAP3K14 (0.46) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL12714912 1.00 MAP3K14 (0.46) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL1612535 0.93 MAP3K14 (0.47) MAP3K14MAP4K4PAK4
SCHEMBL1614086 0.90 MAP3K14 (0.48) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL1614647 0.90 MAP3K14 (0.48) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL1612639 0.90 MAP3K14 (0.48) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL12714856 0.90 MAP3K14 (0.48) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL12714847 0.88 MAP3K14 (0.47) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL1612136 0.88 MAP3K14 (0.47) MAP3K14MAP4K4PAK4PRKD1
SCHEMBL1613474 0.88 MAP3K14 (0.47) MAP3K14MAP4K4PAK4PRKD1

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