SCHEMBL24818896

SCHEMBL24818896

Cn1cnnc1-c1cc(C#N)ccc1-c1cccc(-c2nc3cc(CO)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.40
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 0.36
▸ NSD2 O96028 1/20 0.34
▸ VSIR Q9H7M9 1/20 0.34
▸ CETP P11597 10/20 0.34
▸ S1PR1 P21453 5/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ CEPT1 Q9Y6K0 1/20 0.32

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
SCHEMBL30152890 1.00 CBLB (0.40) CBLBFNTAFNTBNSD2VSIR
SCHEMBL24819786 0.90 S1PR1 (0.37) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL30153127 0.90 S1PR1 (0.37) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL24818674 0.89 VSIR (0.40) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL30153123 0.88 CBLB (0.38) CBLBFNTAFNTBNSD2CETP
SCHEMBL24818895 0.88 CBLB (0.38) CBLBFNTAFNTBNSD2CETP
SCHEMBL30153053 0.88 CBLB (0.39) CBLBFNTAFNTBNSD2VSIR
SCHEMBL24818812 0.88 CBLB (0.39) CBLBFNTAFNTBNSD2VSIR
SCHEMBL24818899 0.86 CBLB (0.39) CBLBFNTAFNTBCETP
SCHEMBL30153241 0.86 CBLB (0.39) CBLBFNTAFNTBCETP

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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