SCHEMBL6569263

SCHEMBL6569263

Fc1ccc(-c2cc3ccnc(NC4CCCC4)n3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
MAPK14 Q16539 8/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
PIM1 P11309 1/20 0.37
FYN P06241 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
SCHEMBL5449622 0.71 CSNK1D (0.53) CDK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL5452109 0.70 CSNK1D (0.52) CDK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL5455918 0.70 CSNK1E (0.41) MAPK14ADORA3ADORA2AADORA1POLB
SCHEMBL1034820 0.69 CDK4 (0.57) CDK4MAPK14KDM4EGAAMAPK13
SCHEMBL5448658 0.69 MAPK14 (0.41) MAPK14KDM4EMAPTMEN1ALDH1A1
SCHEMBL5453634 0.68 KDM4E (0.44) ADORA3ADORA2AADORA1KDM4EMAPT
SCHEMBL6192425 0.68 CDK4 (0.38) CDK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL5458133 0.67 MKNK1 (0.45) CDK4MAPK14ADORA3ADORA2AMAPK13
SCHEMBL5453851 0.67 MAPK14 (0.47) CDK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL5453810 0.66 GSK3B (0.59) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP claimed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO claimed
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP disclosed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed