SCHEMBL24820368

SCHEMBL24820368

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.37
▸ CD274 Q9NZQ7 8/20 0.34
▸ PDCD1 Q15116 6/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ MAP3K5 Q99683 3/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ HTR3A P46098 1/20 0.31

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
SCHEMBL30153046 1.00 VSIR (0.37) VSIRCD274PDCD1KCNH2PDCD1LG2
SCHEMBL30152910 0.93 VSIR (0.37) VSIRCD274PDCD1KCNH2PDCD1LG2
SCHEMBL24820311 0.93 VSIR (0.37) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL24820267 0.93 VSIR (0.37) VSIRCD274PDCD1KCNH2PDCD1LG2
SCHEMBL24818723 0.92 VSIR (0.36) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL30152834 0.92 VSIR (0.36) VSIRCD274PDCD1PDCD1LG2MAP3K5
SCHEMBL30152922 0.91 VSIR (0.35) VSIRCD274PDCD1KCNH2PDCD1LG2
SCHEMBL24820053 0.91 VSIR (0.35) VSIRCD274PDCD1KCNH2PDCD1LG2
SCHEMBL24820153 0.91 VSIR (0.35) VSIRCD274PDCD1KCNH2PDCD1LG2
SCHEMBL24818891 0.91 VSIR (0.35) VSIRCD274PDCD1PDCD1LG2

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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