SCHEMBL31029950

SCHEMBL31029950

FC(F)(F)c1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.78
MAPK13 O15264 7/20 0.78
MAPK12 P53778 7/20 0.78
MAPK11 Q15759 7/20 0.78
RAF1 P04049 5/20 0.78
MAPK9 P45984 2/20 0.78
PTPN1 P18031 1/20 0.59
GCGR P47871 2/20 0.54
NPBWR1 P48145 1/20 0.54
PIN1 Q13526 1/20 0.53
SCN2A Q99250 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 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
SCHEMBL6449249 0.89 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL30713384 0.86 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL31029951 0.85 MAPK13 (0.89) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2649073 0.85 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL14514175 0.84 PTPN1 (0.73) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL20445314 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
Hydrochloric Acid SCHEMBL23736216 0.83 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
Hydrochloric Acid SCHEMBL31679086 0.83 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469211 0.82 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469918 0.81 MAPK14 (0.71) 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
CN-118440005-A Trisubstituted arylamine imidazole compound and preparation method and application thereof 华中科技大学 2024-08-06 CN disclosed