SCHEMBL30153012

SCHEMBL30153012

COc1cc(CN[C@@H](C)C2CCC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.36
▸ VSIR Q9H7M9 5/20 0.34
▸ PDCD1 Q15116 3/20 0.32
▸ CD274 Q9NZQ7 3/20 0.32
▸ HTR3A P46098 2/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSA P10619 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ IDO1 P14902 2/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ CBLB Q13191 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
SCHEMBL24818964 1.00 KCNH2 (0.36) KCNH2VSIRPDCD1CD274HTR3A
SCHEMBL24819926 0.90 KCNH2 (0.47) KCNH2VSIRPDCD1CD274CLK1
SCHEMBL30153009 0.89 CBLB (0.36) VSIRHTR3AMDM2CBLB
SCHEMBL24818736 0.89 CBLB (0.36) VSIRHTR3AMDM2CBLB
SCHEMBL30153084 0.88 VSIR (0.40) KCNH2VSIRPDCD1CD274CYP2D6
SCHEMBL24820155 0.88 VSIR (0.40) KCNH2VSIRPDCD1CD274CYP2D6
SCHEMBL30152568 0.87 VSIR (0.40) KCNH2VSIRPDCD1CD274CYP2D6
SCHEMBL24820273 0.87 VSIR (0.40) KCNH2VSIRPDCD1CD274CYP2D6
SCHEMBL24818952 0.87 VSIR (0.41) KCNH2VSIRPDCD1CD274CYP2D6
SCHEMBL30153006 0.87 VSIR (0.41) KCNH2VSIRPDCD1CD274CYP2D6

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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