SCHEMBL24818981

SCHEMBL24818981

Cn1cnnc1-c1cc(Cl)ccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4O)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 2/20 0.34
▸ TRPV3 Q8NET8 5/20 0.32
▸ S1PR1 P21453 5/20 0.32
▸ S1PR3 Q99500 5/20 0.32
▸ CD274 Q9NZQ7 4/20 0.32
▸ PDCD1 Q15116 3/20 0.32
▸ VSIR Q9H7M9 3/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 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
SCHEMBL30152863 1.00 CBLB (0.34) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24820761 0.93 VSIR (0.35) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24818917 0.93 VSIR (0.35) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24818891 0.93 VSIR (0.35) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24818680 0.93 VSIR (0.35) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24819897 0.93 CD274 (0.36) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24818854 0.93 CD274 (0.36) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL30152725 0.93 CD274 (0.36) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL24819898 0.93 CD274 (0.36) CBLBTRPV3S1PR1S1PR3CD274
SCHEMBL30153129 0.93 CD274 (0.36) CBLBTRPV3S1PR1S1PR3CD274

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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