SCHEMBL29189956

SCHEMBL29189956

COc1cc(CNCC2CCCC2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ CD274 Q9NZQ7 5/20 0.36
▸ VSIR Q9H7M9 7/20 0.35
▸ PDCD1 Q15116 4/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GNRHR P30968 2/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ CXCR4 P61073 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
SCHEMBL29189973 0.99 CD274 (0.37) KCNH2CD274VSIRPDCD1IDO1
SCHEMBL29189886 0.97 KCNH2 (0.36) KCNH2CD274VSIRPDCD1DRD2
SCHEMBL29190133 0.92 VSIR (0.35) KCNH2CD274VSIRPDCD1DRD2
SCHEMBL29190117 0.90 MAPT (0.39) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL29190061 0.90 MAPT (0.39) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL29190058 0.90 MAPT (0.39) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL29189893 0.90 CD274 (0.39) CD274VSIRPDCD1IDO1
SCHEMBL29190137 0.89 KCNH2 (0.39) KCNH2CD274PDCD1KDM4EALDH1A1
SCHEMBL29190080 0.89 VSIR (0.36) CD274VSIRPDCD1IDO1
SCHEMBL29189986 0.89 S1PR1 (0.36) CD274VSIRPDCD1IDO1

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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