SCHEMBL7707034

SCHEMBL7707034

N#CC(c1ccnc(NCCc2ccccc2)n1)C1C=CN=C(N2CCCC2)[N+]1(c1nc2ccccc2s1)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.45
MAPK9 P45984 5/20 0.45
MAPK8 P45983 1/20 0.45
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
OGA O60502 3/20 0.37
HTR7 P34969 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7701901 0.74 IRAK4 (0.33) MAPK10MAPK9HTR7ADRA2CSLC6A2
SCHEMBL4022971 0.69 MAPK10 (0.84) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL5566249 0.67 MAPK10 (0.45) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL4026673 0.67 MAPK10 (0.75) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL7707445 0.67 MAPK10 (0.33) MAPK10MAPK9MAPK8
SCHEMBL6017675 0.66 MAPK10 (0.44) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL2884761 0.64 MAPK10 (0.75) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL4023159 0.64 MAPK10 (0.75) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL2881373 0.64 MAPK10 (0.75) MAPK10MAPK9MAPK8RAB9ANPC1
SCHEMBL2879038 0.64 MAPK10 (0.75) MAPK10MAPK9MAPK8RAB9ANPC1

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
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed