SCHEMBL28787352

SCHEMBL28787352

C=CC(=O)N1CCCC(NC(=O)c2ccc(N)c(OC)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.51
BTK Q06187 4/20 0.47
ITK Q08881 1/20 0.44
JAK3 P52333 5/20 0.44
USP30 Q70CQ3 1/20 0.44
HTR4 Q13639 1/20 0.44
POLB P06746 1/20 0.44
JAK1 P23458 1/20 0.43
CDK14 O94921 1/20 0.43
CCNY Q8ND76 1/20 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
SCHEMBL28787353 0.89 HTR4 (0.46) HTR4
SCHEMBL28787334 0.84 POLB (0.52) USP30HTR4POLB
SCHEMBL13846093 0.83 HTR4 (0.53) USP30HTR4
SCHEMBL13845987 0.83 HTR4 (0.53) USP30HTR4
SCHEMBL12426778 0.82 HTR4 (0.48) USP30HTR4
SCHEMBL12426777 0.82 HTR4 (0.48) USP30HTR4
SCHEMBL29152337 0.81 DRD2 (0.46) USP30HTR4
SCHEMBL1927002 0.80 KMT2A (0.54) HTR4
SCHEMBL12825174 0.80 KMT2A (0.57)
SCHEMBL13846090 0.79 HTR4 (0.54) USP30HTR4

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-114478539-A Novel DCLK1 inhibitor and preparation method and application thereof 中国人民解放军海军军医大学 2022-05-13 CN disclosed