SCHEMBL9904546

SCHEMBL9904546

O=c1[nH]c2cscc2nc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KHK P50053 1/20 0.58
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
PABPC1 P11940 1/20 0.54
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PKM P14618 1/20 0.33
PARP1 P09874 3/20 0.30
PARP6 Q2NL67 3/20 0.30
PARP2 Q9UGN5 3/20 0.30
PARP3 Q9Y6F1 3/20 0.30
KDM5A P29375 1/20 0.30

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
SCHEMBL12794446 0.74 KDM4E (1.00) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL29790278 0.74 KDM4E (1.00) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL9900901 0.70 KDM4E (0.47) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL29773331 0.69 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL22912819 0.69 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL24427741 0.69 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL22912818 0.69 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL29396688 0.69 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL14934158 0.68 KDM4E (0.60) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL14934122 0.68 KDM4E (0.60) KDM4EALDH1A1KHKKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed