SCHEMBL25209124

SCHEMBL25209124

CSc1ccc2cnccc2c1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MARK3 P27448 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47

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
SCHEMBL25203151 0.87 AR (0.39) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL29983480 0.76 SLC2A1 (0.41) CYP1A2CA1CA2ALDH1A1
SCHEMBL25226782 0.75 AURKA (0.41) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL8856137 0.75 HASPIN (0.50) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL25197275 0.74 MAPT (0.43) CSNK2A1CDK5PRKCZPRKCDDYRK1A
SCHEMBL8277410 0.70 LMNA (0.53) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL15700805 0.70 HASPIN (0.42) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL30733350 0.69 AR (0.42) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL25196309 0.69 AR (0.42) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL25198825 0.69 AR (0.42) AURKADAPK3JAK2ROCK2CHEK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396484-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-01-12 — — CN disclosed
WO-2023096459-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-06-01 — — WO disclosed
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