SCHEMBL29190133

SCHEMBL29190133

COc1cc(CNCCC2CCC2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 10/20 0.35
▸ CD274 Q9NZQ7 5/20 0.35
▸ PDCD1 Q15116 4/20 0.35
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ KCNH2 Q12809 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 0.94 CD274 (0.37) VSIRCD274PDCD1DRD2DRD4
SCHEMBL29189956 0.92 KCNH2 (0.37) VSIRCD274PDCD1DRD2DRD4
SCHEMBL29189886 0.91 KCNH2 (0.36) VSIRCD274PDCD1DRD2DRD4
SCHEMBL29190137 0.89 KCNH2 (0.39) CD274PDCD1DRD2DRD4DRD3
SCHEMBL29189911 0.89 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29189931 0.88 VSIR (0.36) VSIRCD274PDCD1
SCHEMBL29190162 0.88 VSIR (0.38) VSIRCD274PDCD1DRD2DRD4
SCHEMBL29190166 0.87 VSIR (0.37) VSIRCD274PDCD1
SCHEMBL29190058 0.87 MAPT (0.39) —
SCHEMBL29190061 0.87 MAPT (0.39) —

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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