SCHEMBL7872452

SCHEMBL7872452

CSNc1cccc(-c2cnc3[nH]cc(C(=O)c4cccc(N)c4)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.51
KIT P10721 5/20 0.48
NTRK1 P04629 5/20 0.47
ITK Q08881 5/20 0.46
BTK Q06187 4/20 0.46
AXL P30530 3/20 0.46
DYRK1A Q13627 2/20 0.46
PIK3CA P42336 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 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
SCHEMBL4570632 0.89 AAK1 (0.52) AAK1NTRK1ITKBTKAXL
SCHEMBL7879449 0.86 RIPK1 (0.47) AAK1KITNTRK1ITKBTK
SCHEMBL298800 0.86 TNIK (0.54) AAK1KITNTRK1ITKBTK
SCHEMBL858632 0.85 NTRK1 (0.64) AAK1KITNTRK1ITKAXL
SCHEMBL856998 0.82 KIT (0.57) AAK1KITNTRK1ITKAXL
SCHEMBL299272 0.82 CAMKK2 (0.61) AAK1KITNTRK1ITKAXL
SCHEMBL3699186 0.81 NTRK1 (0.64) AAK1KITNTRK1ITKAXL
SCHEMBL858562 0.80 KIT (0.66) AAK1KITNTRK1AXLDYRK1A
SCHEMBL416155 0.80 AAK1 (0.53) AAK1KITNTRK1ITKAXL
SCHEMBL27101328 0.80 AAK1 (0.53) AAK1KITNTRK1ITKAXL

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
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed