SCHEMBL30152922

SCHEMBL30152922

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN[C@@H]4CCC[C@@H]4O)cc(C4CC4)c3o2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 6/20 0.35
▸ CD274 Q9NZQ7 7/20 0.33
▸ PDCD1 Q15116 4/20 0.33
▸ PDCD1LG2 Q9BQ51 2/20 0.32
▸ CBLB Q13191 1/20 0.31
▸ MAP3K5 Q99683 3/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ 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
SCHEMBL24820053 1.00 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2CBLB
SCHEMBL30152910 0.92 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24820311 0.92 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2CBLB
SCHEMBL24820267 0.92 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24819863 0.91 CD274 (0.39) VSIRCD274PDCD1PDCD1LG2KCNH2
SCHEMBL30153046 0.91 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL30152834 0.91 VSIR (0.36) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24818723 0.91 VSIR (0.36) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24820368 0.91 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24818917 0.90 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2CBLB

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 3 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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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