SCHEMBL2587384

SCHEMBL2587384

CC(C)n1ncc2c(C(N)=O)cccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.50
PARP1 P09874 5/20 0.41
TLR8 Q9NR97 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
KDM4E B2RXH2 4/20 0.39
CYP11B2 P19099 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GCK P35557 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL29846416 0.86 EZH2 (0.51) EZH2KDM4ECYP11B2ALDH1A1L3MBTL1
SCHEMBL2594393 0.86 EZH2 (0.51) EZH2KDM4ECYP11B2ALDH1A1L3MBTL1
SCHEMBL15687571 0.82 CYP11B2 (0.56) EZH2KDM4ECYP11B2ALDH1A1GAA
SCHEMBL28264532 0.81 EZH2 (0.47) EZH2PARP1KDM4ECYP11B2GCK
SCHEMBL28686269 0.77 EZH2 (0.57) EZH2TRPV1
SCHEMBL29506803 0.77 EZH2 (0.57) EZH2TRPV1
SCHEMBL4953281 0.76 EZH2 (0.41) EZH2KDM4ECYP11B2PARP2TRPV1
SCHEMBL26956221 0.76 DDB1 (0.42) EZH2KDM4ECYP11B2ALDH1A1TRPV1
SCHEMBL1695067 0.75 EZH2 (0.50) EZH2TLR8TYK2KDM4EL3MBTL1
SCHEMBL21140432 0.74 CYP11B1 (0.47) EZH2CYP11B2

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
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed