SCHEMBL29975008

SCHEMBL29975008

CC(C(=O)N1CCN(C(C)(C)C)CC1)n1cnc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.57
MAPK13 O15264 17/20 0.57
MAPK12 P53778 17/20 0.57
MAPK11 Q15759 17/20 0.57
MAP4K4 O95819 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
MAPK10 P53779 1/20 0.42

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
SCHEMBL23410689 0.88 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL25043423 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL27353304 0.80 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL28958052 0.74 PTGS2 (0.54) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4587383 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL1387655 0.73 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL23411206 0.72 GFER (0.42) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL23410267 0.71 HTT (0.46)
SCHEMBL23410397 0.71 PTGS2 (0.55) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL28878620 0.71 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D

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
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed