SCHEMBL28620134

SCHEMBL28620134

c1n[nH]cc1-c1cc(-c2cn[nH]c2)c2ccc3c(-c4cn[nH]c4)cc(-c4cn[nH]c4)c4ccc1c2c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.47
▸ AKT2 P31751 1/20 0.47
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ INCENP Q9NQS7 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ FLT3 P36888 4/20 0.43
▸ LRRK2 Q5S007 1/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ PIM1 P11309 3/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ PIM2 Q9P1W9 2/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CHEK1 O14757 2/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37

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
SCHEMBL28546134 0.74 AKT1 (0.43) AKT1AKT2AURKAAURKBINCENP
SCHEMBL30823569 0.72 AKT2 (0.59) AKT1AKT2AURKAAURKBINCENP
SCHEMBL30823568 0.72 AKT2 (0.59) AKT1AKT2AURKAAURKBINCENP
SCHEMBL3740850 0.71 AKT2 (0.70) AKT1AKT2PIM1PIM3PIM2
SCHEMBL22192214 0.70 LRRK2 (0.47) AKT1AKT2AURKAAURKBINCENP
SCHEMBL22192677 0.70 AKT2 (0.50) AKT1AKT2AURKAAURKBINCENP
SCHEMBL22192203 0.70 FEN1 (0.50) AKT1AKT2AURKAAURKBINCENP
SCHEMBL29533228 0.69 AKT2 (0.61) AKT1AKT2PIM1PIM3PIM2
SCHEMBL16432987 0.69 AKT2 (0.76) AKT1AKT2PIM1PIM3PIM2
SCHEMBL15689115 0.69 AKT2 (0.76) AKT1AKT2PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625069-B Cobalt metal organic framework material based on pyrene tetrapyrazole ligand, preparation method and application thereof 北京工业大学 2022-05-17 — — CN claimed
CN-119331264-A Pyrenyl metal organic framework material suitable for low-temperature methane adsorption storage, and preparation and application thereof 浙江大学杭州国际科创中心 2025-01-21 — — CN disclosed
CN-112625069-B Cobalt metal organic framework material based on pyrene tetrapyrazole ligand, preparation method and application thereof 北京工业大学 2022-05-17 — — CN disclosed
CN-112625069-B Cobalt metal organic framework material based on pyrene tetrapyrazole ligand, preparation method and application thereof 北京工业大学 2022-05-17 — — CN disclosed
CN-113201142-A Hydrogen bond organic grid material based on aromatic tetrapyrazole and preparation method and application thereof 北京工业大学 2021-08-03 — — CN disclosed
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