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SCHEMBL25528611

SCHEMBL25528611

C[C@@H]1C(=O)N(C)c2cc(-c3ccncc3)ccc2C(=O)N1Cc1cc(F)cc(C(=O)NCC(C)(C)COC(=O)c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ WDR5 P61964 13/20 0.33
▸ AURKA O14965 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ EIF4E P06730 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
SCHEMBL25528842 0.91 ROCK2 (0.41) ROCK1ROCK2AURKAALDH1A1
SCHEMBL25528835 0.88 ROCK2 (0.32) ROCK1ROCK2AURKA
SCHEMBL25528615 0.86 ROCK1 (0.34) ROCK1ROCK2WDR5AURKAUSP2
SCHEMBL25528845 0.85 ROCK2 (0.32) ROCK1ROCK2AURKA
SCHEMBL25528617 0.85 ROCK2 (0.35) ROCK1ROCK2WDR5
SCHEMBL25530204 0.84 ROCK1 (0.35) ROCK1ROCK2WDR5
SCHEMBL25531283 0.77 CACNA1H (0.36) ROCK1ROCK2AURKA
SCHEMBL25528475 0.77 CACNA1H (0.36) ROCK1ROCK2AURKA
SCHEMBL25528470 0.77 AURKA (0.37) ROCK1ROCK2AURKA
SCHEMBL25528473 0.77 AURKA (0.35) ROCK1ROCK2WDR5AURKA

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
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 — — WO disclosed