SCHEMBL8225199

SCHEMBL8225199

COc1nc2ccccc2nc1/C=C/c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.42
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 3/20 0.35
NR1H2 P55055 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 3/20 0.33
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PADI4 Q9UM07 1/20 0.33
NQO2 P16083 3/20 0.33
TACR3 P29371 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
FBP1 P09467 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL13595010 0.86 HRH4 (0.42) RIOK2MEN1KMT2AHRH4KDM4E
SCHEMBL12669892 0.85 RIOK2 (0.40) RIOK2NR1H2RAB9A
SCHEMBL13594780 0.85 RIOK2 (0.40) RIOK2MEN1KMT2AHRH4KDM4E
SCHEMBL8228109 0.78 RAB9A (0.53) MEN1KMT2AHRH4KDM4EMAPT
SCHEMBL13595055 0.77 CYP1A1 (0.47) MEN1KMT2AHRH4KDM4EMAPT
SCHEMBL15958614 0.77 CYP1A1 (0.47) MEN1KMT2AHRH4KDM4EMAPT
SCHEMBL8219137 0.74 KDM4E (0.48) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL7936491 0.74 MEN1 (0.41) MEN1KMT2AHRH4KDM4EMAPT
SCHEMBL8212824 0.73 ALOX5 (0.38) MEN1KMT2AHRH4KDM4ENR1H2
SCHEMBL8224935 0.71 CYP11B1 (0.53) MEN1KMT2AKDM4ERAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-7635683-B2 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO disclosed