SCHEMBL298746

SCHEMBL298746

CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C(=O)c4cc(C(N)=O)ccc4C4(S(=O)(=O)O)CCCCC4)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.57
PLK4 O00444 2/20 0.43
AXL P30530 2/20 0.43
CDC7 O00311 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
MAPK13 O15264 1/20 0.43
PDPK1 O15530 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
PRKD3 O94806 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43

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
SCHEMBL299489 0.85 PAK1 (0.49) PDPK1PAK4PAK1TNIK
SCHEMBL298555 0.84 CYP2C19 (0.41) CAMKK2PLK4AXLCDC7CHEK1
SCHEMBL297910 0.83 CYP2C19 (0.41) CAMKK2PLK4AXLCDC7CHEK1
SCHEMBL298748 0.82 BRAF (0.41) PLK4AXLCDC7CHEK1AURKA
SCHEMBL298502 0.82 PAK1 (0.39) CAMKK2PLK4AXLCDC7CHEK1
SCHEMBL3702186 0.82 CAMKK2 (0.67) CAMKK2PLK4AXLCDC7CHEK1
SCHEMBL299342 0.82 AAK1 (0.38) CAMKK2AXLDYRK3ROCK2PRKD3
SCHEMBL298126 0.81 BRAF (0.42) PLK4AXLCDC7CHEK1AURKA
SCHEMBL299063 0.81 PAK1 (0.40) CAMKK2PLK4AXLCDC7CHEK1
SCHEMBL3702374 0.81 CAMKK2 (0.69) CAMKK2PLK4AXLCDC7CHEK1

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
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed