SCHEMBL6928950

SCHEMBL6928950

O=C(Nc1n[nH]c2cc(Nc3ccccc3Cl)ccc12)[C@H]1CCOC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.51
MAPK10 P53779 6/20 0.51
MAPK8 P45983 5/20 0.51
MAPK14 Q16539 5/20 0.51
GSK3A P49840 5/20 0.51
GSK3B P49841 4/20 0.51
ACVRL1 P37023 1/20 0.47
AAK1 Q2M2I8 6/20 0.46
CDK2 P24941 2/20 0.46
MAPK1 P28482 2/20 0.46
PIK3CD O00329 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL7134630 0.94 ULK1 (0.58) ULK1MAPK10MAPK8MAPK14GSK3A
SCHEMBL6928888 0.89 GSK3A (0.64) MAPK10MAPK8MAPK14GSK3AGSK3B
SCHEMBL6930259 0.82 ULK1 (0.53) ULK1MAPK10MAPK8MAPK14GSK3A
SCHEMBL6929720 0.76 MAPK8 (0.53) MAPK10MAPK8MAPK14GSK3ACDK2
SCHEMBL6928890 0.75 MAPK8 (0.55) MAPK10MAPK8MAPK14GSK3AGSK3B
SCHEMBL6925889 0.74 MAPK8 (0.70) MAPK10MAPK8MAPK14AAK1
SCHEMBL6930752 0.74 MAPK8 (0.58) MAPK10MAPK8MAPK14MAPK1
SCHEMBL29568296 0.73 FLT3 (0.56) MAPK10MAPK8MAPK14
SCHEMBL22551182 0.73 FLT3 (0.56) MAPK10MAPK8MAPK14
SCHEMBL6924018 0.72 MAPK8 (0.56) MAPK10MAPK8MAPK14

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