SCHEMBL29189955

SCHEMBL29189955

COc1cc(CNC(C)C2CCC2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.31
▸ CLK1 P49759 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ EHMT1 Q9H9B1 1/20 0.30
▸ RPS6KA2 Q15349 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ VSIR Q9H7M9 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL29189954 1.00 MDM2 (0.31) MDM2CLK1SMN1; SMN2EHMT1RPS6KA2
SCHEMBL29190137 0.90 KCNH2 (0.39) RPS6KA2PDCD1CD274
SCHEMBL29190106 0.89 MDM2 (0.34) MDM2
SCHEMBL29190109 0.89 MDM2 (0.34) MDM2
SCHEMBL29189973 0.88 CD274 (0.37) PDCD1VSIRCD274
SCHEMBL29189956 0.87 KCNH2 (0.37) PDCD1VSIRCD274
SCHEMBL29189886 0.87 KCNH2 (0.36) PDCD1VSIRCD274
SCHEMBL29190133 0.86 VSIR (0.35) PDCD1VSIRCD274
SCHEMBL29190166 0.86 VSIR (0.37) CLK1SMN1; SMN2PDCD1VSIRCD274
SCHEMBL29189912 0.86 CD274 (0.39) PDCD1VSIRCD274

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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