SCHEMBL7989137

SCHEMBL7989137

CC(=O)C1=NN(c2ccc3[nH]nnc3c2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
MAPT P10636 7/20 0.39
KDM4E B2RXH2 6/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 7/20 0.38
KMT2A Q03164 9/20 0.37
MEN1 O00255 7/20 0.37
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
THRB P10828 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 2/20 0.32
BLM P54132 1/20 0.32
APP P05067 3/20 0.32
GLA P06280 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
SCHEMBL7974687 0.78 ROCK2 (0.47) POLBCYP3A4
SCHEMBL7986540 0.73 POLB (0.44) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL7988922 0.71 POLB (0.44) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL9717736 0.70 L3MBTL1 (0.40) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL7975778 0.70 POLB (0.58) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL7991950 0.69 ALDH1A1 (0.33) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL9812745 0.69 POLB (0.43) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL3726621 0.68 SLC2A1 (0.41) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL7989098 0.68 CA1 (0.57) POLBMAPTKDM4ENPC1RAB9A
SCHEMBL15304484 0.67 MAPT (0.69) POLBMAPTKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271373-B1 PYRIDINE DERIVATIVE FORMED BY REACTING A PYRAZINE DERIVATIVE WITH FECL3 AND ACETIC ACID VIROPHARMA INCORPORATED 2001-08-07 US claimed
US-6271373-B1 PYRIDINE DERIVATIVE FORMED BY REACTING A PYRAZINE DERIVATIVE WITH FECL3 AND ACETIC ACID VIROPHARMA INCORPORATED 2001-08-07 US disclosed
US-6180628-B1 PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AND THEIR USE IN TREATING INFLUENZA INFECTION AND OTHER VIRAL DISEASES VIROPHARMA INCORPORATED 2001-01-30 US disclosed
EP-0920419-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INC (US) 1999-10-06 EP disclosed
US-5935957-A PYRIDAZINE DERIVATIVES VIROPHARMA INCORPORATED (US) 1999-08-10 US disclosed
EP-0920419-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA Viropharma Incorporated (US) 1999-06-09 EP disclosed
US-5821243-A 3,4,5-TRIOXO-2H,3H,4H,5H-PYRIDAZINES; TRANSCRIPTASE INHIBITORS; NONTOXIC VIROPHARMA INCORPORATED (US) 1998-10-13 US disclosed
WO-1998003487-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INCORPORATED (US) 1998-01-29 WO disclosed