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SCHEMBL24818737

SCHEMBL24818737

Cc1cc(CNCC2CCC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 12/20 0.42
▸ HPGD P15428 1/20 0.36
▸ PDCD1 Q15116 8/20 0.36
▸ CD274 Q9NZQ7 8/20 0.36
▸ CBLB Q13191 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ CETP P11597 1/20 0.33

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
SCHEMBL30153049 1.00 VSIR (0.42) VSIRHPGDPDCD1CD274CBLB
SCHEMBL24818947 0.92 VSIR (0.40) VSIRPDCD1CD274CBLBHTR3A
SCHEMBL30152612 0.92 VSIR (0.40) VSIRPDCD1CD274CBLBHTR3A
SCHEMBL30152788 0.91 VSIR (0.40) VSIRPDCD1CD274CBLBHTR3A
SCHEMBL24820155 0.91 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL30153084 0.91 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL24818925 0.91 VSIR (0.40) VSIRPDCD1CD274CBLBHTR3A
SCHEMBL24820273 0.90 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL24819867 0.90 VSIR (0.40) VSIRPDCD1CD274CBLBCETP
SCHEMBL30152568 0.90 VSIR (0.40) VSIRPDCD1CD274

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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