SCHEMBL7989834

SCHEMBL7989834

Cc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)ccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 14/20 0.71
MAPK14 Q16539 14/20 0.71
ALOX5 P09917 13/20 0.71
MAPK13 O15264 13/20 0.71
MAPK12 P53778 13/20 0.71
TGFBR1 P36897 2/20 0.71
GCGR P47871 12/20 0.63
CSNK1A1 P48729 4/20 0.63
CSNK1D P48730 4/20 0.63
PRKD3 O94806 3/20 0.63
MAP4K4 O95819 3/20 0.63
FRK P42685 3/20 0.63
MAPK9 P45984 3/20 0.63
GSK3B P49841 3/20 0.63
PTK6 Q13882 3/20 0.63
CLK4 Q9HAZ1 2/20 0.63
PRKD2 Q9BZL6 2/20 0.63
ALDH1A1 P00352 3/20 0.60
CSNK1E P49674 3/20 0.60
CSNK1A1L Q8N752 3/20 0.60

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
SCHEMBL7991357 0.87 MAPK11 (0.65) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL4552085 0.85 KDM4E (0.67) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL2650680 0.85 ALOX5 (0.77) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL413667 0.83 MAPK14 (1.00) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL4153691 0.83 TGFBR1 (0.74) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL4553131 0.82 ALOX5 (1.00) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL8484309 0.80 KDM4E (0.73) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL19868925 0.79 MAPK11 (1.00) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL15075603 0.79 MAPK11 (1.00) MAPK11MAPK14ALOX5MAPK13MAPK12
SCHEMBL2650684 0.78 MAPK11 (1.00) MAPK11MAPK14ALOX5MAPK13MAPK12

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 claimed