SCHEMBL24573240

SCHEMBL24573240

OCCc1nnc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.33
▸ PRKACA P17612 2/20 0.30
▸ AKT2 P31751 2/20 0.30
▸ AKT3 Q9Y243 2/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ RPS6KA5 O75582 1/20 0.30
▸ RPS6KA4 O75676 1/20 0.30
▸ LATS1 O95835 1/20 0.30
▸ PRKACB P22694 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ GRK2 P25098 1/20 0.30
▸ RPS6KA3 P51812 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ RPS6KA2 Q15349 1/20 0.30
▸ RPS6KA1 Q15418 1/20 0.30
▸ PKN1 Q16512 1/20 0.30
▸ PKN2 Q16513 1/20 0.30
▸ SGK3 Q96BR1 1/20 0.30
▸ RPS6KB2 Q9UBS0 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
SCHEMBL29735046 1.00 AKT1 (0.33) AKT1PRKACAAKT2AKT3ROCK2
SCHEMBL24573421 0.91 AKT1 (0.32) AKT1PRKACAAKT2AKT3ROCK2
SCHEMBL29734959 0.91 AKT1 (0.32) AKT1PRKACAAKT2AKT3ROCK2
SCHEMBL24573580 0.84 NPBWR1 (0.35) NPBWR1
SCHEMBL24573625 0.83 AKT1 (0.34) AKT1
SCHEMBL29735054 0.83 AKT1 (0.34) AKT1
SCHEMBL24573328 0.83 TUBB4A (0.35) ROCK2ROCK1
SCHEMBL29734219 0.83 TUBB4A (0.35) ROCK2ROCK1
SCHEMBL24573249 0.82 NPBWR1 (0.34) NPBWR1
SCHEMBL24573623 0.82 AKT1 (0.33) AKT1

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-2022137085-A1 INDOLE DERIVATIVES USEFUL IN TREATING CONDITIONS ASSOCIATED WITH CGAS NOVARTIS AG (CH) 2022-06-30 — — WO disclosed
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