SCHEMBL24819925

SCHEMBL24819925

COc1cc(CNCCC2CCC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 18/20 0.40
▸ PDCD1 Q15116 13/20 0.37
▸ CD274 Q9NZQ7 13/20 0.37
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL30152858 1.00 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL24820155 0.94 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL30153084 0.94 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL30152568 0.92 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL24820273 0.92 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL24818952 0.91 VSIR (0.41) VSIRPDCD1CD274KCNH2
SCHEMBL30153006 0.91 VSIR (0.41) VSIRPDCD1CD274KCNH2
SCHEMBL24819926 0.89 KCNH2 (0.47) VSIRPDCD1CD274KCNH2
SCHEMBL24819921 0.89 VSIR (0.43) VSIRPDCD1CD274
SCHEMBL24818772 0.88 VSIR (0.40) VSIRPDCD1CD274

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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