SCHEMBL6930752

SCHEMBL6930752

Clc1ccccc1Nc1ccc2c(NCC3CC3)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.58
MAPK10 P53779 9/20 0.58
MAPK14 Q16539 9/20 0.58
ACHE P22303 1/20 0.47
SOS1 Q07889 2/20 0.44
GRM4 Q14833 2/20 0.43
MAPK1 P28482 2/20 0.43
CDC7 O00311 1/20 0.43
CRHR1 P34998 1/20 0.42
KHK P50053 1/20 0.41
TRPA1 O75762 1/20 0.40

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 0.79 GSK3A (0.64) MAPK8MAPK10MAPK14
SCHEMBL6931060 0.78 MAPK8 (0.55) MAPK8MAPK10MAPK14SOS1MAPK1
SCHEMBL7073847 0.77 MAPK10 (0.62) MAPK8MAPK10MAPK14MAPK1TRPA1
SCHEMBL6925012 0.76 MAPK10 (0.71) MAPK8MAPK10MAPK14
SCHEMBL7134630 0.75 ULK1 (0.58) MAPK8MAPK10MAPK14MAPK1
SCHEMBL6928950 0.74 ULK1 (0.51) MAPK8MAPK10MAPK14MAPK1
SCHEMBL1461079 0.74 GSK3B (0.56) ACHEMAPK1CDC7CRHR1
SCHEMBL6930259 0.73 ULK1 (0.53) MAPK8MAPK10MAPK14
Hydrochloric Acid SCHEMBL6370463 0.72 MAPK10 (0.97) MAPK8MAPK10MAPK14
SCHEMBL2129920 0.72 EBP (0.57) ACHECRHR1KHK

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 1 patent. 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 disclosed