SCHEMBL7992988

SCHEMBL7992988

CC(COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1)N(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.70
MAPK11 Q15759 15/20 0.65
MAPK14 Q16539 15/20 0.65
MAPK13 O15264 14/20 0.65
GCGR P47871 14/20 0.65
MAPK12 P53778 14/20 0.65
CSNK1A1 P48729 5/20 0.62
CSNK1D P48730 5/20 0.62
PRKD3 O94806 4/20 0.62
MAP4K4 O95819 4/20 0.62
FRK P42685 4/20 0.62
MAPK9 P45984 4/20 0.62
GSK3B P49841 4/20 0.62
CLK4 Q9HAZ1 3/20 0.62
PTK6 Q13882 3/20 0.62
PRKD2 Q9BZL6 3/20 0.62
PRKACA P17612 3/20 0.57
SLK Q9H2G2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
CSNK1E P49674 3/20 0.57

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
SCHEMBL4553380 0.82 ALOX5 (1.00) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL13497841 0.81 MAPK11 (0.76) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL2648503 0.80 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL15075603 0.79 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL19868925 0.79 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL13497913 0.78 ALOX5 (0.71) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL9193657 0.78 MAPK13 (0.72) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL2648771 0.78 MAPK13 (0.72) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL4551864 0.77 ALOX5 (1.00) ALOX5MAPK11MAPK14MAPK13GCGR
SCHEMBL2649542 0.77 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13GCGR

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-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US disclosed