SCHEMBL7073847

SCHEMBL7073847

CC(C)Nc1n[nH]c2cc(Nc3ccccc3Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.62
MAPK14 Q16539 11/20 0.62
MAPK8 P45983 10/20 0.62
GSK3B P49841 1/20 0.44
TRPA1 O75762 2/20 0.43
FADS1 O60427 1/20 0.42
MAPK1 P28482 2/20 0.41
ALK Q9UM73 3/20 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
SCHEMBL6925012 0.79 MAPK10 (0.71) MAPK10MAPK14MAPK8
SCHEMBL6930752 0.77 MAPK8 (0.58) MAPK10MAPK14MAPK8TRPA1MAPK1
Hydrochloric Acid SCHEMBL6370463 0.76 MAPK10 (0.97) MAPK10MAPK14MAPK8
SCHEMBL6928888 0.76 GSK3A (0.64) MAPK10MAPK14MAPK8GSK3B
SCHEMBL6931060 0.74 MAPK8 (0.55) MAPK10MAPK14MAPK8MAPK1
SCHEMBL6924018 0.73 MAPK8 (0.56) MAPK10MAPK14MAPK8
SCHEMBL6929720 0.73 MAPK8 (0.53) MAPK10MAPK14MAPK8MAPK1ALK
SCHEMBL6925889 0.73 MAPK8 (0.70) MAPK10MAPK14MAPK8
SCHEMBL4240954 0.72 SGK1 (0.55)
SCHEMBL6930259 0.72 ULK1 (0.53) MAPK10MAPK14MAPK8GSK3B

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