SCHEMBL24820346

SCHEMBL24820346

COc1cc(CN[C@@H]2C[C@H](O)C23CC3)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 7/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PDCD1 Q15116 4/20 0.32
▸ CD274 Q9NZQ7 4/20 0.32
▸ CLK1 P49759 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CTSA P10619 1/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL30153124 0.93 VSIR (0.35) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL24818733 0.89 KCNH2 (0.39) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL30152743 0.89 KCNH2 (0.39) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL24818734 0.89 KCNH2 (0.39) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL24821916 0.88 KCNH2 (0.37) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL24819922 0.88 KCNH2 (0.37) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL24819926 0.86 KCNH2 (0.47) VSIRKCNH2PDCD1CD274CLK1
SCHEMBL24819863 0.85 CD274 (0.39) VSIRKCNH2PDCD1CD274
SCHEMBL24818952 0.85 VSIR (0.41) VSIRKCNH2PDCD1CD274
SCHEMBL30153006 0.85 VSIR (0.41) VSIRKCNH2PDCD1CD274

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
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