SCHEMBL29689263

SCHEMBL29689263

c1cc(-c2cn[nH]c2)ncc1-c1cn[nH]c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.54
AKT1 P31749 1/20 0.54
MAPK1 P28482 1/20 0.46
CHEK1 O14757 5/20 0.45
CHEK2 O96017 2/20 0.44
ABL1 P00519 1/20 0.44
PIM1 P11309 3/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
LRRK2 Q5S007 1/20 0.42
ACVR1 Q04771 1/20 0.42
MAPK8 P45983 1/20 0.42
ROCK2 O75116 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
HIPK3 Q9H422 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL29638874 0.93 AKT2 (0.56) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL14941606 0.83 PIK3CD (0.52) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL30737880 0.82 AKT1 (0.48) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL14896650 0.82 CHEK1 (0.52) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL9977893 0.82 AKT1 (0.48) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL16131991 0.82 CCR1 (0.56) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL15327018 0.82 AKT1 (0.48) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL30582723 0.82 AKT2 (0.48) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL26131947 0.82 AKT2 (0.48) AKT2AKT1MAPK1CHEK1CHEK2
SCHEMBL16432987 0.81 AKT2 (0.76) AKT2AKT1PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139936-A Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-05-23 CN claimed
CN-116139936-B Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-07-04 CN disclosed
CN-116139936-B Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-07-04 CN disclosed
CN-116139936-A Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-05-23 CN disclosed
CN-116139936-A Carbonic anhydrase artificial enzyme and preparation method and application thereof 四川大学 2023-05-23 CN disclosed
CN-112608492-B Metal organic framework material of cobalt chain based on double-end pyrazole ligand, preparation and benzene adsorption application 北京工业大学 2022-05-27 CN disclosed