SCHEMBL28878620

SCHEMBL28878620

Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CC(=O)N1CCN(C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.51
RIPK3 Q9Y572 1/20 0.46
ALOX5 P09917 1/20 0.44
FAAH O00519 1/20 0.43
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
CSNK1D P48730 2/20 0.41
GCGR P47871 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL23410469 0.88 GRIA1 (0.52) MAPK14RIPK3ALOX5FAAHMAPK13
SCHEMBL25043409 0.86 RIPK3 (0.52) MAPK14RIPK3ALOX5FAAHMAPK13
SCHEMBL23410499 0.78 MAPK14 (0.53) MAPK14RIPK3ALOX5MAPK13MAPK12
SCHEMBL23410552 0.77 GRIA1 (0.51) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL28878621 0.77 MAPK14 (0.49) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL23410401 0.77 GRIA1 (0.53) MAPK14RIPK3
SCHEMBL23410636 0.76 GRIA1 (0.50) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL30232556 0.74 RIPK3 (0.50) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL25044591 0.74 RIPK3 (0.52) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL30232366 0.74 RIPK3 (0.49) MAPK14RIPK3MAPK13MAPK12MAPK11

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