SCHEMBL30152686

SCHEMBL30152686

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 5/20 0.35
▸ CD274 Q9NZQ7 5/20 0.32
▸ PDCD1 Q15116 3/20 0.32
▸ MAP3K5 Q99683 3/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ OPRK1 P41145 2/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL24821893 1.00 VSIR (0.35) VSIRCD274PDCD1MAP3K5PDCD1LG2
SCHEMBL30153058 0.96 VSIR (0.35) VSIRCD274PDCD1MAP3K5PDCD1LG2
SCHEMBL24820063 0.96 VSIR (0.35) VSIRCD274PDCD1MAP3K5PDCD1LG2
SCHEMBL24820761 0.95 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2CBLB
SCHEMBL24818680 0.95 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2CBLB
SCHEMBL24818891 0.95 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2CBLB
SCHEMBL24818917 0.95 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2CBLB
SCHEMBL24820029 0.93 VSIR (0.35) VSIRCD274PDCD1CBLBKCNH2
SCHEMBL24820025 0.93 VSIR (0.35) VSIRCD274PDCD1CBLBKCNH2
SCHEMBL24820267 0.92 VSIR (0.37) VSIRCD274PDCD1MAP3K5PDCD1LG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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