SCHEMBL9980576

SCHEMBL9980576

Brc1ccc2cc(-c3cnc(C4CCCN4)[nH]3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CDC7 O00311 3/20 0.41
PIM1 P11309 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
HPGDS O60760 3/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
NR1H4 Q96RI1 1/20 0.34
BIRC5 O15392 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNA7 P36544 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
ROCK1 Q13464 1/20 0.31
DBF4 Q9UBU7 1/20 0.31

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
SCHEMBL10177451 0.87 HPGDS (0.38) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL204798 0.87 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CDC7
SCHEMBL2706498 0.87 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CDC7
Hydrochloric Acid SCHEMBL12098609 0.86 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14CDC7
Hydrochloric Acid SCHEMBL12098612 0.86 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14CDC7
SCHEMBL933682 0.85 HPGDS (0.37) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL7604946 0.83 HPGDS (0.43) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL15373033 0.83 HPGDS (0.35) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL10144865 0.83 HPGDS (0.35) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL12661252 0.83 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CDC7

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-2575475-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed