SCHEMBL6923905

SCHEMBL6923905

c1ccc(Nc2cc(-c3ccnc(Nc4ccccn4)c3)ccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.57
MAPK8 P45983 8/20 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
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7904599 0.89 MAPK10 (0.53) MAPK10MAPK8MEN1KMT2AGFER
SCHEMBL13151491 0.87 MAPK10 (0.62) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL1518773 0.86 MAPK10 (0.57) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL626575 0.85 MEN1 (0.64) MAPK10MEN1KMT2AGFERALDH1A1
SCHEMBL29582475 0.85 MEN1 (0.64) MAPK10MEN1KMT2AGFERALDH1A1
SCHEMBL15202244 0.84 MAPK10 (0.54) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL1518963 0.84 MAPK10 (0.59) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL31138002 0.83 MEN1 (0.61) MAPK10MEN1KMT2AGFERALDH1A1
SCHEMBL6830106 0.83 MAPK10 (0.58) MAPK10MAPK8MAPK14PIP5K1BPIP5K1C
SCHEMBL6831731 0.82 MAPK10 (0.53) MAPK10MAPK8MAPK14MEN1KMT2A

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