SCHEMBL4697759

SCHEMBL4697759

CSc1nccc(-c2nc(N)c(N)nc2-c2ccccc2F)n1.Cc1cccc(-c2nc(N)c(N)nc2-c2ccncc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
CSNK1E P49674 5/20 0.48
CSNK1D P48730 3/20 0.48
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ADORA1 P30542 2/20 0.36
ADORA2A P29274 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ATR Q13535 1/20 0.35
ADORA2B P29275 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL3053665 0.85 CSNK1E (0.43) MAPK14CSNK1ECSNK1DMAPK13MAPK12
SCHEMBL3054100 0.77 CCNA2 (0.47) MAPK14CSNK1ECSNK1DMAPK13MAPK12
SCHEMBL3064617 0.74 MAPK14 (0.57) MAPK14CSNK1ECSNK1DADORA1
SCHEMBL3061862 0.73 MAP4K4 (0.48) MAPK14CSNK1EMAPK13MAPK12MAPK11
SCHEMBL5818242 0.71 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3058426 0.71 LMNA (0.40) MAPK14CSNK1ECSNK1DMAPK13MAPK12
SCHEMBL3573674 0.70 LMNA (0.50) MAPK14CSNK1ECSNK1DMAPK13MAPK12
SCHEMBL5815955 0.70 TGFBR1 (0.56) MAPK14CSNK1EMAPK13MAPK12MAPK11
SCHEMBL3075502 0.68 CCNA2 (0.38) MAPK14CSNK1ECSNK1DMAPK13MAPK12
SCHEMBL5813444 0.67 KDM4E (0.42) MAPK14CSNK1EMAPK13MAPK12MAPK11

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-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed