SCHEMBL24818764

SCHEMBL24818764

Cn1cnnc1-c1cc(F)ccc1-c1cc(-c2nc3cc(CNCC4CCC4)cc(C(F)(F)F)c3o2)cc(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.40
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CETP P11597 3/20 0.32
▸ VSIR Q9H7M9 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
SCHEMBL30152848 1.00 CBLB (0.40) CBLBJAK2JAK1TYK2JAK3
SCHEMBL24818791 0.92 CBLB (0.34) CBLBVSIR
SCHEMBL30153230 0.92 CBLB (0.34) CBLBVSIR
SCHEMBL30153102 0.91 CBLB (0.38) CBLBVSIR
SCHEMBL24819035 0.91 CBLB (0.38) CBLBVSIR
SCHEMBL24818925 0.91 VSIR (0.40) CBLBCETPVSIR
SCHEMBL30152788 0.91 VSIR (0.40) CBLBCETPVSIR
SCHEMBL24818995 0.90 CBLB (0.44) CBLB
SCHEMBL30152658 0.90 CBLB (0.44) CBLB
SCHEMBL24819867 0.90 VSIR (0.40) CBLBCETPVSIR

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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