SCHEMBL7905946

SCHEMBL7905946

COc1ccccc1-c1cccc(Nc2c(N)c(=O)c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
BRD4 O60885 1/20 0.48
STK10 O94804 11/20 0.47
SLK Q9H2G2 11/20 0.47
GSK3B P49841 3/20 0.46
HTR7 P34969 2/20 0.45
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
CLK2 P49760 2/20 0.44
GSK3A P49840 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
STK33 Q9BYT3 1/20 0.44
TLK1 Q9UKI8 1/20 0.44
PTPN5 P54829 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
SYK P43405 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL7914160 0.80 CXCR2 (0.43) MEN1POLBKMT2AGSK3BPTPN5
SCHEMBL20057651 0.79 KMT2A (0.79) MEN1POLBKMT2A
SCHEMBL7905830 0.79 SIRT2 (0.48) MEN1POLBKMT2AGSK3B
SCHEMBL28884064 0.76 HTR7 (0.55) BRD4STK10SLKHTR7PTPRC
SCHEMBL22171356 0.74 STK10 (0.54) BRD4STK10SLKGSK3BHTR7
SCHEMBL8067145 0.73 HTR7 (0.55) BRD4STK10SLKHTR7PTPRC
SCHEMBL20057675 0.73 MAPT (0.54) POLBKMT2ASTK10SLKPTPN5
SCHEMBL7905940 0.72 BRD4 (0.39) MEN1POLBKMT2ABRD4
SCHEMBL29629017 0.72 HTR7 (0.64) HTR7PTPRCPTPN1PTPN5
SCHEMBL26556078 0.72 HTR7 (0.64) HTR7PTPRCPTPN1PTPN5

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
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 WO disclosed