SCHEMBL7989693

SCHEMBL7989693

COc1ccc(-c2nc(C(=O)OC(C)(C)C)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
MAPK13 O15264 4/20 0.54
MAPK12 P53778 4/20 0.54
MAPK11 Q15759 4/20 0.54
RAF1 P04049 3/20 0.54
ALOX5 P09917 3/20 0.53
GCGR P47871 2/20 0.53
CDC7 O00311 1/20 0.49
TGFBR1 P36897 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
TEK Q02763 2/20 0.46
MAPT P10636 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7991975 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7991767 0.87 MAPK11 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7995659 0.87 GCGR (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7977727 0.87 RAF1 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7989739 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
Hydrochloric Acid SCHEMBL7977803 0.86 GCGR (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7995495 0.84 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15075613 0.84 MAPK13 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7995167 0.83 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL15075612 0.83 CDC7 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed