SCHEMBL24820556

SCHEMBL24820556

COc1cc(CN[C@@H]2CCCC2O[Si](C)(C)C(C)(C)C)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ VSIR Q9H7M9 2/20 0.32
▸ CNR1 P21554 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL30153133 1.00 KCNH2 (0.35) KCNH2KDM4EALDH1A1VSIRCNR1
SCHEMBL24820547 0.93 VSIR (0.33) KCNH2VSIRPDCD1CD274
SCHEMBL30153066 0.93 VSIR (0.33) KCNH2VSIRPDCD1CD274
SCHEMBL24818932 0.93 KDM4E (0.40) KCNH2KDM4EALDH1A1VSIRCYP2D6
SCHEMBL30152806 0.92 VSIR (0.32) VSIRPDCD1CD274
SCHEMBL24821940 0.92 VSIR (0.32) VSIRPDCD1CD274
SCHEMBL30152798 0.91 CBLB (0.33) VSIR
SCHEMBL24820059 0.91 CBLB (0.33) VSIR
SCHEMBL24819863 0.89 CD274 (0.39) KCNH2VSIRPDCD1CD274
SCHEMBL24820787 0.88 VSIR (0.31) VSIR

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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