SCHEMBL6930259

SCHEMBL6930259

O=C(Nc1n[nH]c2cc(Nc3ccccc3Cl)ccc12)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.53
MAPK8 P45983 5/20 0.51
MAPK10 P53779 5/20 0.51
MAPK14 Q16539 5/20 0.51
GSK3A P49840 3/20 0.50
GSK3B P49841 3/20 0.50
AAK1 Q2M2I8 8/20 0.47
ACVRL1 P37023 1/20 0.46
PIK3CD O00329 1/20 0.45
PIM1 P11309 1/20 0.45
CDK2 P24941 1/20 0.45
GAK O14976 2/20 0.45
STK16 O75716 2/20 0.45
BMP2K Q9NSY1 2/20 0.45

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
SCHEMBL6928888 0.88 GSK3A (0.64) MAPK8MAPK10MAPK14GSK3AGSK3B
SCHEMBL7134630 0.84 ULK1 (0.58) ULK1MAPK8MAPK10MAPK14GSK3A
SCHEMBL6928950 0.82 ULK1 (0.51) ULK1MAPK8MAPK10MAPK14GSK3A
SCHEMBL26393949 0.77 ULK1 (0.55) ULK1GSK3AGSK3BAAK1PIK3CD
Hydrochloric Acid SCHEMBL26129341 0.77 ULK1 (0.54) ULK1GSK3AGSK3BAAK1PIK3CD
SCHEMBL26396687 0.76 ULK1 (0.56) ULK1GSK3AGSK3BAAK1PIK3CD
SCHEMBL26396531 0.76 ULK1 (0.56) ULK1GSK3AGSK3BAAK1PIK3CD
SCHEMBL26396705 0.76 ULK1 (0.56) ULK1GSK3AGSK3BAAK1PIK3CD
Hydrochloric Acid SCHEMBL26127100 0.76 ULK1 (0.55) ULK1GSK3AGSK3BAAK1PIK3CD
Hydrochloric Acid SCHEMBL26129521 0.76 ULK1 (0.55) ULK1GSK3AGSK3BAAK1PIK3CD

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
WO-2004113303-A1 INDAZOLE/PYRZOLO[4,3-c]PYRIDIN DERIVATIVES AS JNK INHIBITORS, COMPOSITIONS AND METHODS RELATED THERETO AS WELL AS INTERMEDIATE THEREOF ASTRAZENECA AB (SE) 2004-12-29 WO claimed
WO-2004113303-A1 INDAZOLE/PYRZOLO[4,3-c]PYRIDIN DERIVATIVES AS JNK INHIBITORS, COMPOSITIONS AND METHODS RELATED THERETO AS WELL AS INTERMEDIATE THEREOF ASTRAZENECA AB (SE) 2004-12-29 WO disclosed