SCHEMBL24818922

SCHEMBL24818922

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC(C)(C)F)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 13/20 0.42
▸ CBLB Q13191 2/20 0.34
▸ PDCD1 Q15116 5/20 0.32
▸ CD274 Q9NZQ7 5/20 0.32
▸ CETP P11597 1/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ HPGD P15428 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
SCHEMBL30153193 1.00 VSIR (0.42) VSIRCBLBPDCD1CD274CETP
SCHEMBL24819890 0.94 VSIR (0.41) VSIRCBLBPDCD1CD274CETP
SCHEMBL24819846 0.94 VSIR (0.39) VSIRCBLBPDCD1CD274CETP
SCHEMBL24818928 0.93 VSIR (0.43) VSIRCBLBPDCD1CD274CETP
SCHEMBL30152605 0.93 VSIR (0.43) VSIRCBLBPDCD1CD274CETP
SCHEMBL24820456 0.93 VSIR (0.43) VSIRCBLBPDCD1CD274CETP
SCHEMBL24818699 0.92 VSIR (0.38) VSIRCBLBCETP
SCHEMBL24821870 0.92 VSIR (0.40) VSIRCBLBPDCD1CD274CETP
SCHEMBL30152947 0.92 VSIR (0.40) VSIRCBLBPDCD1CD274CETP
SCHEMBL24819904 0.92 VSIR (0.52) 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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