SCHEMBL4555856

SCHEMBL4555856

O=S(=O)(c1ccccc1)n1cc(-c2cs[c]n2)c2cc(C3=CCC4(CC3)OCCO4)cnc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.36
POLB P06746 1/20 0.34
HTR6 P50406 8/20 0.34
PTPN11 Q06124 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
PDPK1 O15530 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 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
SCHEMBL1801618 0.85 BRD4 (0.46) BRD4PTPN11IKBKETBK1SUV39H2
SCHEMBL1799609 0.83 BRD4 (0.37) BRD4POLBHTR6PTPN11IKBKE
SCHEMBL2753133 0.83 PDPK1 (0.42) BRD4POLBHTR6PTPN11IKBKE
SCHEMBL8178458 0.82 BRD4 (0.37) BRD4POLBHTR6PTPN11IKBKE
SCHEMBL1801394 0.82 BRD4 (0.35) BRD4POLBHTR6PTPN11IKBKE
SCHEMBL1801425 0.82 BRD4 (0.36) BRD4HTR6PTPN11SUV39H2
SCHEMBL1799532 0.82 HTR2C (0.36) BRD4POLBPTPN11IKBKETBK1
SCHEMBL1798773 0.81 PDPK1 (0.36) BRD4PTPN11IKBKETBK1SUV39H2
SCHEMBL1801277 0.81 BRD4 (0.35) BRD4HTR6PTPN11SUV39H2
SCHEMBL4553699 0.80 POLB (0.37) BRD4POLBHTR6CCNCCDK8

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