SCHEMBL24820456

SCHEMBL24820456

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 14/20 0.43
▸ CBLB Q13191 3/20 0.34
▸ PDCD1 Q15116 5/20 0.34
▸ CD274 Q9NZQ7 5/20 0.34
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ CETP P11597 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
SCHEMBL30152605 1.00 VSIR (0.43) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24818928 0.94 VSIR (0.43) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24819904 0.93 VSIR (0.52) VSIRPDCD1CD274
SCHEMBL24818922 0.93 VSIR (0.42) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30153193 0.93 VSIR (0.42) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24819883 0.92 VSIR (0.42) VSIRCBLBPDCD1CD274CETP
SCHEMBL30153111 0.92 VSIR (0.42) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24820688 0.92 VSIR (0.42) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24820157 0.92 VSIR (0.42) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24818933 0.91 VSIR (0.41) VSIRCBLBPDCD1CD274CETP

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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