SCHEMBL7701901

SCHEMBL7701901

N#CC(c1ccnc(N2CCN(c3ncccn3)CC2)n1)C1C=CN=C(N2CCN(c3cnccn3)CC2)[N+]1(c1nc2ccccc2s1)c1nc2ccccc2s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33
HTR1A P08908 4/20 0.32
DRD2 P14416 4/20 0.32
HTR7 P34969 4/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR2A P28223 3/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL4023738 0.74 MAPK10 (0.56) IRAK4HTR1ADRD2HTR7DRD4
SCHEMBL4964716 0.66 SORD (0.35) IRAK4HTR1ADRD2HTR7DRD4
SCHEMBL4018709 0.66 MAPK10 (0.65) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL4197293 0.63 SORD (0.40) IRAK4HTR1ADRD2HTR7DRD4
Acetonitrile SCHEMBL6828681 0.61 SORD (0.38) IRAK4HTR1ADRD2HTR7DRD4
SCHEMBL2885891 0.61 MAPK10 (0.65) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL2886155 0.60 MAPK10 (0.61) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL5640834 0.60 IRAK4 (0.35) IRAK4HTR1ADRD2HTR7DRD4
SCHEMBL2885492 0.59 MAPK10 (0.59) HTR1ADRD2HTR7DRD4DRD3
SCHEMBL5596130 0.59 IRAK4 (0.44) IRAK4HTR1ADRD2HTR7DRD4

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