SCHEMBL29599274

SCHEMBL29599274

c1cc(-c2nc(-c3ccc(-c4cn[nH]c4)cc3)nc(-c3ccc(-c4cn[nH]c4)cc3)n2)ccc1-c1cn[nH]c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.61
AKT1 P31749 7/20 0.61
ROCK2 O75116 3/20 0.46
ILK Q13418 1/20 0.44
ACVR1 Q04771 1/20 0.44
MAPK1 P28482 1/20 0.43
AKT3 Q9Y243 3/20 0.42
PRKACA P17612 2/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42
LATS1 O95835 1/20 0.42
PRKACB P22694 1/20 0.42
RPS6KB1 P23443 1/20 0.42
GRK2 P25098 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKCD Q05655 1/20 0.42
ROCK1 Q13464 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
PKN1 Q16512 1/20 0.42

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
SCHEMBL15689115 0.88 AKT2 (0.76) AKT2AKT1ROCK2ILKACVR1
SCHEMBL16432987 0.88 AKT2 (0.76) AKT2AKT1ROCK2ILKACVR1
SCHEMBL3721501 0.82 AKT2 (0.61) AKT2AKT1ROCK2ACVR1AKT3
SCHEMBL28784785 0.81 AKT2 (0.61) AKT2AKT1ROCK2ILKACVR1
SCHEMBL3740850 0.80 AKT2 (0.70) AKT2AKT1ROCK2ILKACVR1
SCHEMBL28446442 0.79 AKT2 (0.53) AKT2AKT1ROCK2ACVR1MAPK1
SCHEMBL16872766 0.79 AKT2 (0.95) AKT2AKT1ROCK2ILKPIM1
SCHEMBL1188308 0.77 AKT2 (0.61) AKT2AKT1ROCK2AKT3PRKACA
SCHEMBL104535 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1ROCK1
SCHEMBL20588075 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775579-A Nickel-based metal organic framework, aniline compound and preparation methods of nickel-based metal organic framework and aniline compound 中国科学技术大学 2025-04-08 CN claimed
CN-111220611-B Application of triazine trispyrazole compound in anion detection 北京工业大学 2022-05-10 CN claimed
CN-122117930-A Three-atom catalyst integrated electrode and preparation method and application thereof 2026-05-29 CN disclosed
CN-119775579-A Nickel-based metal organic framework, aniline compound and preparation methods of nickel-based metal organic framework and aniline compound 中国科学技术大学 2025-04-08 CN disclosed
CN-117732446-A Metal organic framework-activated carbon composite material and preparation method and application thereof 中国科学院过程工程研究所 2024-03-22 CN disclosed
CN-111220611-B Application of triazine trispyrazole compound in anion detection 北京工业大学 2022-05-10 CN disclosed
CN-111220611-B Application of triazine trispyrazole compound in anion detection 北京工业大学 2022-05-10 CN disclosed