SCHEMBL30421799

SCHEMBL30421799

Cc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.65
MAPK13 O15264 10/20 0.65
MAPK12 P53778 10/20 0.65
MAPK11 Q15759 10/20 0.65
GCGR P47871 7/20 0.65
ALOX5 P09917 3/20 0.65
RAF1 P04049 3/20 0.59
GSK3B P49841 2/20 0.56
MAPK9 P45984 2/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
FRK P42685 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
PTK6 Q13882 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
NOX1 Q9Y5S8 1/20 0.53
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL30979828 0.93 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL30979849 0.93 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1629037 0.85 MAPK13 (0.85) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL16292225 0.85 MAPK13 (0.85) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL2650680 0.83 ALOX5 (0.77) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL9195042 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4552316 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL13115539 0.78 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL19868948 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5074753 0.77 MAPK13 (0.83) MAPK14MAPK13MAPK12MAPK11GCGR

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
CN-219277458-U Novel new energy automobile braking energy recovery device 上海师范大学天华学院 2023-06-30 CN disclosed