SCHEMBL4553699

SCHEMBL4553699

O=S(=O)(c1ccccc1)n1cc(-c2cs[c]n2)c2cc(C3CCC4(CC3)OCCO4)cnc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
BRD4 O60885 7/20 0.34
HTR6 P50406 3/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1803283 0.87 POLB (0.36) POLBBRD4HTR6ALDH1A1KDM4E
SCHEMBL1800406 0.85 BRD4 (0.46) POLBBRD4HTR6ALDH1A1KDM4E
SCHEMBL1794734 0.83 BRD4 (0.35) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL1795815 0.82 POLB (0.36) POLBBRD4HTR6ALDH1A1CCNC
SCHEMBL1797528 0.81 BRD4 (0.34) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL2752909 0.81 PDPK1 (0.39) POLBBRD4HTR6ALDH1A1HTT
SCHEMBL1798526 0.81 BRD4 (0.51) POLBBRD4HTR6ALDH1A1KDM4E
SCHEMBL1799105 0.81 POLB (0.34) POLBBRD4HTR6ALDH1A1CCNC
SCHEMBL1796311 0.81 HTR2C (0.37) POLBBRD4ALDH1A1KDM4EHTT
SCHEMBL8184787 0.80 POLB (0.36) POLBBRD4HTR6ALDH1A1CCNC

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-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed