SCHEMBL24819866

SCHEMBL24819866

COc1cc(CO)cc2nc(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)n3)oc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CTSA P10619 1/20 0.30
▸ CSF1R P07333 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
SCHEMBL30153071 1.00 CBLB (0.32) CBLBS1PR1CHRM2CHRM4CHRM5
SCHEMBL24818816 0.91 CBLB (0.33) CBLB
SCHEMBL30152929 0.91 CBLB (0.33) CBLB
SCHEMBL24820581 0.91 CBLB (0.33) CBLB
SCHEMBL30153055 0.91 CBLB (0.33) CBLB
SCHEMBL24821930 0.88 CBLB (0.39) CBLBS1PR1
SCHEMBL24819868 0.88 CD274 (0.35) CBLB
SCHEMBL30153164 0.87 SMN1; SMN2 (0.34) CBLBCTSA
SCHEMBL24821974 0.87 SMN1; SMN2 (0.34) CBLBCTSA
SCHEMBL30792080 0.87 SMN1; SMN2 (0.34) CBLBCTSA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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