SCHEMBL24821916

SCHEMBL24821916

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.37
▸ VSIR Q9H7M9 6/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PDCD1 Q15116 3/20 0.32
▸ CD274 Q9NZQ7 3/20 0.32
▸ CBLB Q13191 1/20 0.31
▸ CLK1 P49759 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CTSA P10619 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL24819922 1.00 KCNH2 (0.37) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL24818700 0.90 CBLB (0.36) VSIRPDCD1CD274CBLB
SCHEMBL24818690 0.90 CBLB (0.36) VSIRPDCD1CD274CBLB
SCHEMBL30153124 0.89 VSIR (0.35) KCNH2VSIRPDCD1CD274CLK1
SCHEMBL24819926 0.89 KCNH2 (0.47) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL24820346 0.88 VSIR (0.34) KCNH2VSIRPDCD1CD274CLK1
SCHEMBL24819863 0.87 CD274 (0.39) KCNH2VSIRPDCD1CD274
SCHEMBL24820273 0.87 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL24820155 0.87 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL30152568 0.87 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1

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 4 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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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