SCHEMBL24820593

SCHEMBL24820593

NC(=O)c1cc(F)ccc1-c1cc(Cl)nc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.45
SCN9A Q15858 4/20 0.42
CASP1 P29466 3/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKD3 O94806 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPK10 P53779 1/20 0.38
ROCK1 Q13464 1/20 0.38
ACVR2B Q13705 1/20 0.38
MYLK Q15746 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
NLK Q9UBE8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL24820600 0.86 EIF4E (0.48) KEAP1
SCHEMBL30792061 0.86 EIF4E (0.48) KEAP1
SCHEMBL30792152 0.81 KDM4E (0.49) CASP1ROCK1
SCHEMBL24820591 0.81 KDM4E (0.49) CASP1ROCK1
SCHEMBL5616629 0.80 IKBKB (0.51) GRM2SCN9AIKBKBCHUKGSK3A
SCHEMBL4615110 0.78 EIF4E (0.47) GRM2SCN9ACASP1
SCHEMBL29189961 0.77 TSHR (0.52) CASP1
SCHEMBL5616503 0.77 CASP1 (0.58) GRM2CASP1
SCHEMBL4026875 0.77 BCAT2 (0.61) GRM2CASP1IKBKBCHUKKEAP1
SCHEMBL30463456 0.77 BCAT2 (0.61) GRM2CASP1IKBKBCHUKKEAP1

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed