SCHEMBL30068379

SCHEMBL30068379

CC(C)Nc1ccncc1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 2/20 0.49
▸ AOC3 Q16853 2/20 0.49
▸ HIPK2 Q9H2X6 1/20 0.38
▸ KDM4C Q9H3R0 4/20 0.36
▸ LATS1 O95835 1/20 0.36
▸ LATS2 Q9NRM7 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ KDM6B O15054 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31

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
SCHEMBL30068360 0.79 KDM4C (0.47) AOC1AOC3KDM4CLATS1LATS2
SCHEMBL21540857 0.75 AOC1 (0.53) AOC1AOC3HIPK2KDM4CLATS1
SCHEMBL3645303 0.74 AOC1 (0.49) AOC1AOC3HIPK2KDM4CLATS1
SCHEMBL29376653 0.73 AOC1 (0.56) AOC1AOC3HIPK2KDM4CLATS1
SCHEMBL5768195 0.73 AOC1 (0.51) AOC1AOC3HIPK2LATS1LATS2
SCHEMBL16884493 0.73 AOC1 (0.56) AOC1AOC3HIPK2KDM4CLATS1
SCHEMBL29277495 0.73 AOC1 (0.51) AOC1AOC3HIPK2KDM4CLATS1
SCHEMBL26240072 0.73 AOC1 (0.51) AOC1AOC3HIPK2KDM4CLATS1
SCHEMBL15981404 0.72 IDO1 (0.46) IDO1LMNA
SCHEMBL30545176 0.71 KDM4C (0.54) AOC1AOC3HIPK2KDM4CKDM6B

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-115335381-A Bifunctional degradants of interleukin-1 receptor-associated kinase and therapeutic uses thereof 新锐思生物制药股份有限公司 2022-11-11 — — CN disclosed
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