SCHEMBL29190137

SCHEMBL29190137

COc1cc(CNC2CCC2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ CD274 Q9NZQ7 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ PDCD1 Q15116 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
SCHEMBL29189912 0.91 CD274 (0.39) CD274KDM4EALDH1A1PDCD1
SCHEMBL29189910 0.91 CD274 (0.39) CD274KDM4EALDH1A1PDCD1
SCHEMBL29189973 0.91 CD274 (0.37) KCNH2CYP2D6GRIN2BCD274KDM4E
SCHEMBL29189955 0.90 MDM2 (0.31) CD274RPS6KA2PDCD1
SCHEMBL29189954 0.90 MDM2 (0.31) CD274RPS6KA2PDCD1
SCHEMBL29189956 0.89 KCNH2 (0.37) KCNH2CD274KDM4EGAAALDH1A1
SCHEMBL29189886 0.89 KCNH2 (0.36) KCNH2CYP2D6GRIN2BCD274DRD2
SCHEMBL29190133 0.89 VSIR (0.35) KCNH2CD274DRD2DRD4DRD3
SCHEMBL29189982 0.87 S1PR1 (0.35) KCNH2CD274PDCD1
SCHEMBL29190061 0.87 MAPT (0.39) KDM4EKMT2AGAAALDH1A1POLB

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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