SCHEMBL29593289

SCHEMBL29593289

COc1ccc(CCOc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.80
MAPK12 P53778 12/20 0.80
HCK P08631 11/20 0.80
TNF P01375 3/20 0.80
CIT O14578 1/20 0.68
MUSK O15146 1/20 0.68
MAPK13 O15264 1/20 0.68
MAP3K7 O43318 1/20 0.68
RIPK2 O43353 1/20 0.68
STK10 O94804 1/20 0.68
MAP4K4 O95819 1/20 0.68
CHEK2 O96017 1/20 0.68
ABL1 P00519 1/20 0.68
EGFR P00533 1/20 0.68
RAF1 P04049 1/20 0.68
NTRK1 P04629 1/20 0.68
HSPB1 P04792 1/20 0.68
PRKCB P05771 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68

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
SCHEMBL300495 1.00 MAPK14 (0.80) MAPK14MAPK12HCKTNFCIT
SCHEMBL29593358 0.89 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL295686 0.89 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL2408004 0.88 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL6680086 0.88 MAPK14 (0.72) MAPK14MAPK12HCKTNFCIT
SCHEMBL2309509 0.87 MAPK14 (0.88) MAPK14MAPK12HCKTNFSRC
SCHEMBL28466145 0.87 MAPK14 (0.72) MAPK14MAPK12HCKTNFCIT
SCHEMBL6298579 0.87 MAPK14 (0.79) MAPK14MAPK12HCKTNFCIT
SCHEMBL2554222 0.86 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL365566 0.86 MAPK14 (0.78) MAPK14MAPK12HCKTNFCIT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114748622-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-09-24 CN disclosed
CN-114732910-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-08-23 CN disclosed
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 CN disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 CN disclosed