SCHEMBL24819868

SCHEMBL24819868

COc1cc(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 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 9/20 0.35
▸ PDCD1 Q15116 3/20 0.35
▸ CBLB Q13191 1/20 0.34
▸ PDCD1LG2 Q9BQ51 2/20 0.33
▸ KCNH2 Q12809 4/20 0.32
▸ HCRTR1 O43613 3/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 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 0.92 CBLB (0.35) CD274PDCD1CBLBPDCD1LG2
SCHEMBL24819009 0.92 CBLB (0.35) CD274CBLBPDCD1LG2
SCHEMBL30152688 0.92 CBLB (0.35) CD274CBLBPDCD1LG2
SCHEMBL24820102 0.92 CBLB (0.35) CD274PDCD1CBLBPDCD1LG2
SCHEMBL24818773 0.92 CD274 (0.33) CD274PDCD1PDCD1LG2KCNH2HCRTR1
SCHEMBL30152969 0.92 CD274 (0.33) CD274PDCD1PDCD1LG2KCNH2HCRTR1
SCHEMBL24819863 0.90 CD274 (0.39) CD274PDCD1PDCD1LG2KCNH2HCRTR1
SCHEMBL30152916 0.90 CBLB (0.41) CBLB
SCHEMBL24819905 0.90 CBLB (0.41) CBLB
SCHEMBL29190069 0.90 CBLB (0.41) CBLB

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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