SCHEMBL7822606

SCHEMBL7822606

COc1ccc(COc2cncc3c2-c2nn(CCNC(=O)OC(C)(C)C)c4ccc(NCCNC(=O)OC(C)(C)C)c(c24)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
BRD4 O60885 6/20 0.34
MALT1 Q9UDY8 1/20 0.34
DYRK1A Q13627 1/20 0.33
PDE2A O00408 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HDAC1 Q13547 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
BCHE P06276 1/20 0.31
CNR2 P34972 1/20 0.31
DRD2 P14416 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL7821575 0.90 TOP2A (0.35) TOP2ABRD4DYRK1APDE2AAAK1
SCHEMBL7818284 0.82 NQO2 (0.38) TOP2ABCHECNR2
SCHEMBL7821158 0.80 TOP2A (0.35) TOP2ABRD4BCHECNR2
SCHEMBL7816796 0.80 TOP2A (0.44) TOP2ABRD4MALT1DDB1CRBN
SCHEMBL7804755 0.80 TOP2A (0.44) TOP2ABRD4MALT1DDB1CRBN
SCHEMBL7819175 0.78 NQO2 (0.39) BCHECNR2
SCHEMBL7819756 0.75 TOP2A (0.45) TOP2ABRD4MALT1DDB1CRBN
SCHEMBL7814301 0.75 ECE1 (0.46) TOP2ABRD4MALT1DDB1CRBN
SCHEMBL8848031 0.74 TOP2A (0.54) TOP2ABRD4MALT1DDB1CRBN
SCHEMBL8848197 0.74 TOP2A (0.54) TOP2ABRD4MALT1DDB1CRBN

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-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed