SCHEMBL29638874

SCHEMBL29638874

c1cc(-c2ccc(-c3cn[nH]c3)cn2)ncc1-c1cn[nH]c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.56
AKT1 P31749 1/20 0.56
CHEK1 O14757 6/20 0.46
CHEK2 O96017 3/20 0.46
ABL1 P00519 2/20 0.46
LRRK2 Q5S007 1/20 0.44
ACVR1 Q04771 1/20 0.44
MAPK1 P28482 1/20 0.43
PIM1 P11309 3/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
ROCK2 O75116 1/20 0.42
ILK Q13418 1/20 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
SCHEMBL29689263 0.93 AKT2 (0.54) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL16432987 0.83 AKT2 (0.76) AKT2AKT1ACVR1PIM1PIM3
SCHEMBL15689115 0.83 AKT2 (0.76) AKT2AKT1ACVR1PIM1PIM3
SCHEMBL27252274 0.81 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL14783574 0.81 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL18291404 0.81 PIK3CD (0.52) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL20255119 0.81 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL30279632 0.81 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL28636503 0.81 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL14941606 0.81 PIK3CD (0.52) AKT2AKT1CHEK1CHEK2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214493-B Preparation of cobalt-based metal organic framework material and low-carbon hydrocarbon separation application thereof 北京工业大学 2022-05-17 CN claimed
CN-113214493-B Preparation of cobalt-based metal organic framework material and low-carbon hydrocarbon separation application thereof 北京工业大学 2022-05-17 CN disclosed