SCHEMBL24818741

SCHEMBL24818741

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN[C@H]4C[C@@H](O)C4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 7/20 0.36
▸ CBLB Q13191 5/20 0.35
▸ S1PR1 P21453 5/20 0.33
▸ S1PR3 Q99500 4/20 0.33
▸ PDCD1 Q15116 3/20 0.33
▸ CD274 Q9NZQ7 3/20 0.33
▸ CETP P11597 1/20 0.31
▸ KCNH2 Q12809 1/20 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
SCHEMBL24818739 1.00 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL24821917 1.00 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL24818875 0.93 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL24818666 0.92 KCNH2 (0.40) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL24818761 0.92 KCNH2 (0.38) VSIRCBLBS1PR1S1PR3KCNH2
SCHEMBL24820275 0.91 KCNH2 (0.40) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL24818931 0.90 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL30152878 0.90 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL24818668 0.90 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1
SCHEMBL30153112 0.90 VSIR (0.36) VSIRCBLBS1PR1S1PR3PDCD1

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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