SCHEMBL20460604

SCHEMBL20460604

Cc1c(F)cc(C=O)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.67
CYP2C9 P11712 9/20 0.67
MAPK11 Q15759 3/20 0.67
BUB1 O43683 1/20 0.67
PRKACG P22612 1/20 0.67
MAPKAPK2 P49137 1/20 0.67
ACSL5 Q9ULC5 1/20 0.67
STK24 Q9Y6E0 1/20 0.67
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
GABRA5 P31644 5/20 0.37
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14077635 0.85 MAPK14 (0.75) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL4686938 0.85 MAPK14 (0.75) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL4680637 0.83 MAPK14 (0.72) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448733 0.83 MAPK14 (0.72) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448612 0.82 MAPK14 (0.77) MAPK14CYP2C9MAPK11BUB1PRKACG
Losmapimod SCHEMBL1070401 0.80 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
Losmapimod SCHEMBL29367949 0.80 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
Losmapimod SCHEMBL29888732 0.80 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448678 0.79 MAPK14 (0.86) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL4681674 0.77 MAPK14 (0.66) MAPK14CYP2C9MAPK11BUB1PRKACG

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
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP disclosed