SCHEMBL24820102

SCHEMBL24820102

Cc1cc(CN[C@@H]2CCC[C@@H]2O)cc2nc(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)n3)oc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.35
▸ MAP3K5 Q99683 3/20 0.31
▸ CD274 Q9NZQ7 2/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.30
▸ RAF1 P04049 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
SCHEMBL30153020 1.00 CBLB (0.35) CBLBMAP3K5CD274PDCD1PDCD1LG2
SCHEMBL24819009 0.95 CBLB (0.35) CBLBMAP3K5CD274PDCD1LG2
SCHEMBL30152688 0.95 CBLB (0.35) CBLBMAP3K5CD274PDCD1LG2
SCHEMBL30152916 0.92 CBLB (0.41) CBLBRAF1
SCHEMBL24819868 0.92 CD274 (0.35) CBLBCD274PDCD1PDCD1LG2
SCHEMBL29190069 0.92 CBLB (0.41) CBLBRAF1
SCHEMBL24819905 0.92 CBLB (0.41) CBLBRAF1
SCHEMBL29190071 0.92 CBLB (0.41) CBLBRAF1
SCHEMBL24821808 0.90 CBLB (0.32) CBLB
SCHEMBL30153243 0.90 CBLB (0.34) CBLBMAP3K5CD274PDCD1LG2

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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