SCHEMBL6998636

SCHEMBL6998636

Nc1c(=O)[nH]c2c1ccc1nncccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.35
PARP1 P09874 2/20 0.35
QTRT1 Q9BXR0 1/20 0.35
CASP6 P55212 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
S100A4 P26447 1/20 0.33
AURKA O14965 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT1 P17948 2/20 0.32
CHEK1 O14757 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
SCHEMBL6623124 0.71 ALDH1A1 (0.37) TYMSMEN1LMNAKMT2A
SCHEMBL31179118 0.66 MAP4K4 (0.41) MEN1LMNAHSP90AA1HSP90AB1MAPT
SCHEMBL6784749 0.61 PARP1 (0.51) PARP1MEN1LMNAHSP90AA1HSP90AB1
SCHEMBL496870 0.60 MAPKAPK2 (0.36) MEN1MAPTKMT2A
SCHEMBL7364735 0.60 LMNA (0.40) MEN1LMNAHSP90AA1HSP90AB1MAPT
SCHEMBL13859950 0.60 MAPT (0.54) MEN1LMNAHSP90AA1HSP90AB1MAPT
SCHEMBL7368978 0.60 LMNA (0.61) MEN1LMNAHSP90AA1MAPTHTT
SCHEMBL3238859 0.59 GPR3 (0.45) LMNAMAPTHTTKMT2A
SCHEMBL27165288 0.59 GPR3 (0.45) PARP1QTRT1MEN1LMNABLM
SCHEMBL8673305 0.59 LMNA (0.37) LMNAMAPTHTT

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-0980374-B1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PFIZER HOLDING FRANCE (FR) 2003-02-12 EP claimed