SCHEMBL8469870

SCHEMBL8469870

CC(C)=Cc1cnc2c(c1)c(-c1cn[nH]c1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.38
CHUK O15111 3/20 0.38
PTPN11 Q06124 1/20 0.38
HTR6 P50406 7/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
TTK P33981 1/20 0.35
MAPK8 P45983 1/20 0.35
PDPK1 O15530 2/20 0.34
HTR1A P08908 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8443781 0.84 BRD4 (0.44) BRD4CHUKPTPN11HTR6CA12
SCHEMBL3348046 0.83 PDPK1 (0.43) BRD4PTPN11HTR6TTKMAPK8
SCHEMBL8470207 0.83 BRD4 (0.38) BRD4CHUKPTPN11HTR6CA12
SCHEMBL3348977 0.82 HTR6 (0.48) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL2752527 0.82 HTR6 (0.41) BRD4CHUKPTPN11HTR6CA12
SCHEMBL8443783 0.81 BCL2L1 (0.41) BRD4CHUKPTPN11HTR6CA12
SCHEMBL8446882 0.81 BRD4 (0.39) BRD4PTPN11HTR6CA12CA9
SCHEMBL8480893 0.81 BRD4 (0.38) BRD4CHUKPTPN11HTR6CA12
SCHEMBL8443973 0.79 SCN9A (0.39) BRD4CHUKPTPN11HTR6CA12
SCHEMBL3348822 0.79 HTR6 (0.40) BRD4CHUKPTPN11HTR6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed