SCHEMBL24818664

SCHEMBL24818664

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNC[C@H](O)C4CC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 11/20 0.38
▸ CBLB Q13191 1/20 0.36
▸ PDCD1 Q15116 5/20 0.33
▸ CD274 Q9NZQ7 5/20 0.33
▸ S1PR1 P21453 6/20 0.32
▸ S1PR3 Q99500 6/20 0.32
▸ HPGD P15428 1/20 0.30
▸ CETP P11597 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
SCHEMBL24818667 1.00 VSIR (0.38) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30152632 1.00 VSIR (0.38) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30153043 1.00 VSIR (0.38) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24819907 0.91 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24819852 0.91 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24819727 0.90 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30152657 0.90 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24820319 0.90 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL24818686 0.90 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1
SCHEMBL30152634 0.90 VSIR (0.40) VSIRCBLBPDCD1CD274S1PR1

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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