SCHEMBL31385191

SCHEMBL31385191

Cc1nc(C(=O)NCc2cccc(OC(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.62
MMP13 P45452 1/20 0.56
ROCK2 O75116 4/20 0.56
ROCK1 Q13464 3/20 0.56
ABCB1 P08183 1/20 0.54
PPARG P37231 2/20 0.49
EPHX2 P34913 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
AKR1C3 P42330 1/20 0.49
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
GLS O94925 2/20 0.48
RIPK1 Q13546 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL31385207 0.88 PTGER4 (0.57) MAPK14PPARGEPHX2PPARDPPARA
SCHEMBL31385201 0.84 MLYCD (0.59) MAPK14LMNAMEN1KMT2A
SCHEMBL31385200 0.84 MLYCD (0.59) MAPK14LMNAMEN1KMT2A
SCHEMBL4927001 0.78 MMP13 (0.79) MAPK14MMP13
SCHEMBL31385327 0.78 PTGER4 (0.55) MAPK14PPARGEPHX2PPARALMNA
SCHEMBL31060144 0.77 MAPK14 (1.00) MAPK14MMP13ROCK2ROCK1PPARG
SCHEMBL27913707 0.75 ROCK2 (0.87) MAPK14MMP13ROCK2ROCK1AKR1C3
SCHEMBL27931717 0.75 ROCK2 (0.65) MAPK14MMP13ROCK2ROCK1PPARG
SCHEMBL29037122 0.75 MAPK14 (0.56) MAPK14MMP13ROCK2ROCK1ABCB1
SCHEMBL5334251 0.74 MMP13 (0.81) MAPK14MMP13ROCK2ROCK1NAMPT

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-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN disclosed