SCHEMBL30673085

SCHEMBL30673085

O=c1c(NCCc2ccc(F)cc2)c(Nc2ccc(Cl)cc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.52
CNR1 P21554 2/20 0.52
CHEK1 O14757 2/20 0.52
MAP4K4 O95819 2/20 0.52
CHEK2 O96017 2/20 0.52
PRKACA P17612 2/20 0.52
RPS6KB1 P23443 2/20 0.52
AKT1 P31749 2/20 0.52
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
RPS6KA3 P51812 2/20 0.52
NEK4 P51957 2/20 0.52
CSNK1G2 P78368 2/20 0.52
PRKCD Q05655 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKG2 Q13237 2/20 0.52
ROCK1 Q13464 2/20 0.52
PRKG1 Q13976 2/20 0.52
PKN2 Q16513 2/20 0.52
CDC42BPA Q5VT25 2/20 0.52

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
SCHEMBL27249149 0.93 AURKB (0.58) FLT4CNR1CHEK1MAP4K4CHEK2
SCHEMBL30672911 0.86 KMT2A (0.52) FLT4CNR1CHEK1MAP4K4CHEK2
SCHEMBL30672966 0.86 CHEK2 (0.52) FLT4CNR1CHEK1MAP4K4CHEK2
SCHEMBL30673004 0.86 MEN1 (0.62) FLT4CNR1CHEK1MAP4K4CHEK2
SCHEMBL30672940 0.85 CNR1 (0.55) FLT4CNR1CHEK1MAP4K4CHEK2
SCHEMBL30673046 0.84 CNR1 (0.56) FLT4CNR1CHEK1MAP4K4CHEK2
SCHEMBL4366760 0.83 FLT4 (0.67) FLT4CHEK1MAP4K4CHEK2PRKACA
SCHEMBL30673142 0.83 GSK3B (0.67) FLT4CHEK1MAP4K4CHEK2PRKACA
SCHEMBL4369721 0.83 GSK3A (0.75) FLT4CHEK1MAP4K4CHEK2PRKACA
SCHEMBL30672914 0.83 CNR1 (0.55) FLT4CNR1CHEK1MAP4K4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119325464-A Square amide derivatives as CB1 allosteric modulators 研究三角协会 2025-01-17 CN claimed
EP-4532463-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS Research Triangle Institute (US) 2025-04-09 EP disclosed
CN-119325464-A Square amide derivatives as CB1 allosteric modulators 研究三角协会 2025-01-17 CN disclosed
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 WO disclosed