SCHEMBL8211545

SCHEMBL8211545

COc1ccc2nc(OC)c(-c3cccs3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 6/20 0.58
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
NQO2 P16083 1/20 0.51
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
THRB P10828 1/20 0.48
ALOX12 P18054 1/20 0.48
PTPN7 P35236 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL8213353 1.00 RPS6KB2 (0.58) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6237742 0.91 RPS6KB2 (0.69) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13595011 0.89 RPS6KB2 (0.52) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13595006 0.89 RPS6KB2 (0.52) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13594782 0.89 RPS6KB2 (0.52) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13594783 0.89 RPS6KB2 (0.52) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12669817 0.89 RPS6KB2 (0.52) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12669924 0.89 RPS6KB2 (0.52) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8030948 0.85 RPS6KB2 (0.59) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8211524 0.84 RPS6KB2 (0.82) RPS6KB2MEN1KMT2AALDH1A1KDM4E

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 4 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-2008021956-A2 ACYLAMINOHETEROARYL HEPATITIS C VIRUS PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO disclosed