SCHEMBL7991767

SCHEMBL7991767

CC(C)(C)OC(=O)c1nc(-c2ccc(F)cc2)[nH]c1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 16/20 0.57
MAPK14 Q16539 16/20 0.57
MAPK13 O15264 15/20 0.57
MAPK12 P53778 15/20 0.57
GCGR P47871 14/20 0.57
ALOX5 P09917 12/20 0.57
CSNK1A1 P48729 5/20 0.53
CSNK1D P48730 5/20 0.53
PRKD3 O94806 4/20 0.53
MAP4K4 O95819 4/20 0.53
FRK P42685 4/20 0.53
MAPK9 P45984 4/20 0.53
GSK3B P49841 4/20 0.53
PTK6 Q13882 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
PRKD2 Q9BZL6 3/20 0.53
TGFBR1 P36897 2/20 0.53
ALDH1A1 P00352 3/20 0.51
CSNK1E P49674 3/20 0.51
CSNK1A1L Q8N752 3/20 0.51

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 0.89 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7995659 0.88 GCGR (0.54) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7977727 0.88 RAF1 (0.55) MAPK11MAPK14MAPK13MAPK12GCGR
Hydrochloric Acid SCHEMBL7977803 0.87 GCGR (0.53) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7989693 0.87 MAPK14 (0.54) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7995167 0.84 MAPK14 (0.54) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7992159 0.81 MAPK14 (0.68) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7989739 0.79 MAPK14 (0.56) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL7988468 0.78 TEK (0.49) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL7991844 0.77 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12GCGR

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