SCHEMBL24820696

SCHEMBL24820696

CCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(-c2nc3cc(CO)cc(OC)c3o2)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL30152951 1.00 S1PR1 (0.32) S1PR1ESR1ESR2
SCHEMBL30792175 0.88 CLK1 (0.34) —
SCHEMBL30152710 0.88 CLK1 (0.34) —
SCHEMBL24820679 0.88 CLK1 (0.34) —
SCHEMBL30152860 0.88 — —
SCHEMBL30153071 0.87 CBLB (0.32) S1PR1ESR1ESR2
SCHEMBL24819866 0.87 CBLB (0.32) S1PR1ESR1ESR2
SCHEMBL24818773 0.86 CD274 (0.33) —
SCHEMBL30152969 0.86 CD274 (0.33) —
SCHEMBL24818878 0.84 VSIR (0.40) S1PR1ESR1ESR2

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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