SCHEMBL29039229

SCHEMBL29039229

NCC(=O)OCCCc1cc(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.35
▸ CHEK1 O14757 9/20 0.35
▸ ROCK2 O75116 8/20 0.33
▸ ROCK1 Q13464 7/20 0.33
▸ AKT2 P31751 3/20 0.32
▸ PRKACA P17612 2/20 0.31
▸ AKT1 P31749 2/20 0.31
▸ AKT3 Q9Y243 2/20 0.31
▸ RPS6KA5 O75582 1/20 0.31
▸ RPS6KA4 O75676 1/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ GRK2 P25098 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ RPS6KA2 Q15349 1/20 0.31
▸ RPS6KA1 Q15418 1/20 0.31
▸ PKN1 Q16512 1/20 0.31
▸ PKN2 Q16513 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
SCHEMBL25423156 0.83 AKT1 (0.39) CHEK1ROCK2ROCK1AKT2PRKACA
SCHEMBL25424331 0.81 MCL1 (0.39) MCL1ROCK2ROCK1
SCHEMBL25424805 0.81 ROCK2 (0.40) ROCK2ROCK1
SCHEMBL29039234 0.80 ROCK2 (0.36) CHEK1ROCK2ROCK1AKT2PRKACA
SCHEMBL25423833 0.79 MCL1 (0.37) MCL1ROCK2ROCK1AKT1
SCHEMBL25425745 0.78 ROCK2 (0.35) MCL1ROCK2ROCK1
SCHEMBL25426311 0.77 CHEK1 (0.33) CHEK1ROCK2ROCK1
SCHEMBL25422539 0.76 MCL1 (0.33) MCL1ROCK2ROCK1
SCHEMBL25425205 0.72 AURKA (0.35) ROCK2ROCK1AKT2AKT1
SCHEMBL26998207 0.71 MAP3K14 (0.37) ROCK2ROCK1AKT1

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-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 — — CN disclosed
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