SCHEMBL28822793

SCHEMBL28822793

CN1CCN(c2cc(F)c(-c3cccc(CN4CCOCC4)c3)c(C(=O)O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 11/20 0.51
▸ KMT2A Q03164 1/20 0.46
▸ DHODH Q02127 2/20 0.43
▸ PSMB8 P28062 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL29789879 0.79 WDR5 (0.56) WDR5JAK2JAK1TYK2JAK3
SCHEMBL29789664 0.77 CHKA (0.56) WDR5KMT2APSMB8AOC3HRH3
SCHEMBL17921462 0.72 DHODH (0.56) WDR5DHODHPSMB8PARP1JAK1
SCHEMBL25939550 0.71 DHODH (0.51) WDR5DHODHPSMB8PARP1JAK1
SCHEMBL17921460 0.71 DHODH (0.51) WDR5DHODHPSMB8PARP1CNR2
SCHEMBL28247345 0.71 HTT (0.55) DHODHHRH3
SCHEMBL29789743 0.71 WDR5 (0.62) WDR5
SCHEMBL20896682 0.71 WDR5 (0.62) WDR5
SCHEMBL21905265 0.70 DHODH (0.84) DHODHPARP1
SCHEMBL23645631 0.70 DHODH (0.50) WDR5DHODHPSMB8AOC3PARP1

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-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 — — CN disclosed
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