Sugi Predict

Sugi Predict / Compounds / SCHEMBL24820063

SCHEMBL24820063

SCHEMBL24820063

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 5/20 0.35
▸ CBLB Q13191 1/20 0.32
▸ CD274 Q9NZQ7 5/20 0.32
▸ PDCD1 Q15116 3/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ TRPV3 Q8NET8 7/20 0.31
▸ MAP3K5 Q99683 2/20 0.30
▸ OPRK1 P41145 2/20 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
SCHEMBL30153058 1.00 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL24818917 0.96 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL30152686 0.96 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL24821893 0.96 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL24818680 0.96 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL24818891 0.96 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL24820761 0.96 VSIR (0.35) VSIRCBLBCD274PDCD1PDCD1LG2
SCHEMBL24820029 0.95 VSIR (0.35) VSIRCBLBCD274PDCD1TRPV3
SCHEMBL24820025 0.95 VSIR (0.35) VSIRCBLBCD274PDCD1TRPV3
SCHEMBL24818931 0.93 VSIR (0.36) VSIRCBLBCD274PDCD1

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
Send feedback