SCHEMBL4720274

SCHEMBL4720274

Cc1c(C(=O)O)n(-c2cccs2)c2nc[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 6/20 0.43
BLM P54132 1/20 0.38
CHEK1 O14757 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 3/20 0.36
SRC P12931 1/20 0.35
PARP1 P09874 1/20 0.35
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL291409 0.88 HPGD (0.45) BCAT2BLMCHEK1LMNAMAPT
SCHEMBL4717730 0.82 MAPT (0.48) BCAT2BLMLMNAMAPTKMT2A
SCHEMBL4720475 0.79 BCAT2 (0.42) BCAT2BLMCHEK1LMNAMAPT
SCHEMBL4722651 0.78 PDE4A (0.42) BCAT2BLMLMNAMAPTKMT2A
SCHEMBL4542766 0.77 NOTUM (0.41) BCAT2BLMLMNAMAPTKMT2A
SCHEMBL4722672 0.76 BCAT2 (0.43) BCAT2BLMLMNAMAPTKMT2A
SCHEMBL4721414 0.76 MAPT (0.46) BCAT2BLMLMNAMAPTKMT2A
SCHEMBL5462039 0.73 MAPT (0.49) LMNAMAPTKMT2AHTTHPGD
SCHEMBL290869 0.71 HPGD (0.48) BCAT2BLMLMNAMAPTKMT2A
SCHEMBL8801360 0.68 EGFR (0.57) LMNAMAPTKMT2AHTTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458722-B1 PYRROLOPYRIMIDINES AS PHOSPHODIESTERASE VII INHIBITORS MERCK PATENT GMBH (DE) 2008-10-15 EP claimed