SCHEMBL24818735

SCHEMBL24818735

COc1cc(CNCC2COC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 13/20 0.40
▸ PDCD1 Q15116 8/20 0.36
▸ CD274 Q9NZQ7 8/20 0.36
▸ KCNH2 Q12809 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CTSA P10619 1/20 0.32

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
SCHEMBL24818952 0.94 VSIR (0.41) VSIRPDCD1CD274KCNH2CYP2D6
SCHEMBL30153006 0.94 VSIR (0.41) VSIRPDCD1CD274KCNH2CYP2D6
SCHEMBL30152568 0.93 VSIR (0.40) VSIRPDCD1CD274KCNH2CYP2D6
SCHEMBL30153084 0.93 VSIR (0.40) VSIRPDCD1CD274KCNH2CYP2D6
SCHEMBL24820155 0.93 VSIR (0.40) VSIRPDCD1CD274KCNH2CYP2D6
SCHEMBL24820273 0.93 VSIR (0.40) VSIRPDCD1CD274KCNH2CYP2D6
SCHEMBL24818758 0.89 VSIR (0.40) VSIRPDCD1CD274
SCHEMBL30152858 0.88 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL24819925 0.88 VSIR (0.40) VSIRPDCD1CD274KCNH2
SCHEMBL24819921 0.88 VSIR (0.43) VSIRPDCD1CD274CLK1SMN1; SMN2

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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