SCHEMBL6830106

SCHEMBL6830106

Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.58
LRRK2 Q5S007 1/20 0.55
MAPK8 P45983 8/20 0.53
BCL6 P41182 1/20 0.53
ROCK1 Q13464 1/20 0.53
MAPK14 Q16539 2/20 0.52
PIP5K1B O14986 1/20 0.49
PIP5K1C O60331 1/20 0.49
PIK3CA P42336 1/20 0.49
PIP5K1A Q99755 1/20 0.49
BUB1 O43683 2/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
NPC1 O15118 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 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
SCHEMBL13151491 0.87 MAPK10 (0.62) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL1518963 0.84 MAPK10 (0.59) MAPK10MAPK8BCL6ROCK1MAPK14
SCHEMBL6829712 0.83 MAPK10 (0.84) MAPK10MAPK8MAPK14NPC1MAPT
SCHEMBL1518773 0.83 MAPK10 (0.57) MAPK10MAPK8BCL6ROCK1MAPK14
SCHEMBL6923905 0.83 MAPK10 (0.57) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL15202244 0.81 MAPK10 (0.54) MAPK10MAPK8BCL6ROCK1MAPK14
SCHEMBL23588551 0.80 KCNH2 (0.58) MAPK10MAPK8BCL6ROCK1CHEK1
SCHEMBL30216764 0.80 KCNH2 (0.58) MAPK10MAPK8BCL6ROCK1CHEK1
SCHEMBL1518966 0.80 MAPK10 (0.56) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL1518621 0.80 MAPK10 (0.67) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C

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-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO claimed
WO-2004052880-A1 PYRIDINE DERIVATIVES AS JNK INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-06-24 WO disclosed