SCHEMBL24818925

SCHEMBL24818925

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNCC4CCC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 10/20 0.40
▸ CBLB Q13191 1/20 0.38
▸ PDCD1 Q15116 4/20 0.34
▸ CD274 Q9NZQ7 4/20 0.34
▸ S1PR1 P21453 6/20 0.33
▸ S1PR3 Q99500 6/20 0.33
▸ CETP P11597 2/20 0.32
▸ HTR3A P46098 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
SCHEMBL30152788 1.00 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24819867 0.99 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30153143 0.99 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30152823 0.97 VSIR (0.41) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24820056 0.97 VSIR (0.41) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24818772 0.93 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24818758 0.93 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30153049 0.91 VSIR (0.42) VSIRCBLBPDCD1CD274CETP
SCHEMBL24818737 0.91 VSIR (0.42) VSIRCBLBPDCD1CD274CETP
SCHEMBL24818764 0.91 CBLB (0.40) VSIRCBLBCETP

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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