SCHEMBL17444512

SCHEMBL17444512

[c]1n[nH]cc1-c1cn[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 8/20 0.43
AKT1 P31749 2/20 0.43
KCNH2 Q12809 1/20 0.34
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
ILK Q13418 1/20 0.33
AKT3 Q9Y243 1/20 0.32
MAPK1 P28482 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL3740850 0.72 AKT2 (0.70) AKT2AKT1KCNH2CHEK1CHEK2
Hydrochloric Acid SCHEMBL28973063 0.70 AKT2 (0.67) AKT2AKT1KCNH2CHEK1CHEK2
SCHEMBL3150004 0.68 AKT2 (0.47) AKT2AKT1KCNH2ILKMAPK1
SCHEMBL16432987 0.66 AKT2 (0.76) AKT2AKT1ILKAKT3PIM1
SCHEMBL15689115 0.66 AKT2 (0.76) AKT2AKT1ILKAKT3PIM1
SCHEMBL29533228 0.66 AKT2 (0.61) AKT2AKT1KCNH2CHEK1CHEK2
SCHEMBL41607 0.65 AKT2 (0.53) AKT2AKT1KCNH2CHEK1CHEK2
SCHEMBL4577541 0.63 PDGFRB (0.49) PIM1
SCHEMBL197153 0.62 AKT2 (0.61) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL23706596 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169332-A1 FOOD INTAKE, BODY WEIGHT AND GLUCOSE METABOLISM REGULATION BY MODULATION OF P2Y6 RECEPTOR SIGNALING Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2017-05-24 EP claimed
WO-2016008603-A1 FOOD INTAKE, BODY WEIGHT AND GLUCOSE METABOLISM REGULATION BY MODULATION OF P2Y6 RECEPTOR SIGNALING MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-01-21 WO claimed
CN-102933561-B There is the disubstituted triazine derivatives of pharmaceutical active Lead Discovery Center Co.,Ltd. (DE) 2016-05-11 CN disclosed