SCHEMBL298762

SCHEMBL298762

CCC(c1ccc(C(N)=O)c(C)c1C(O)c1c[nH]c2ncc(Br)cc12)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
RRM1 P23921 2/20 0.32
RRM2B Q7LG56 2/20 0.32
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKCG P05129 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
FES P07332 1/20 0.31
IGF1R P08069 1/20 0.31
ROS1 P08922 1/20 0.31
FGFR1 P11362 1/20 0.31
PHKG2 P15735 1/20 0.31
FER P16591 1/20 0.31

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
SCHEMBL415659 0.91 BRAF (0.34) PDPK1CHRM2CHRM1RRM1RRM2B
SCHEMBL298640 0.78 BRAF (0.37) PDPK1PLK4AURKAROCK2PRKD3
SCHEMBL413438 0.78 BRAF (0.45) CHRM2CHRM1PLK4AURKAMAP4K4
SCHEMBL287646 0.77 RPS6KB1 (0.33) PLK4AURKAMAP4K4FESFGFR1
SCHEMBL3715063 0.77 AURKA (0.39) PDPK1PLK4AURKAJAK2ROCK2
SCHEMBL2890696 0.74 BRAF (0.43) PDPK1CHRM2CHRM1RRM1RRM2B
SCHEMBL299284 0.69 BRAF (0.45) CHRM2CHRM1PLK4AURKAMAP4K4
SCHEMBL995687 0.69 BRAF (0.56) CHRM2CHRM1PLK4AURKAMAP4K4
SCHEMBL3505142 0.69 BRAF (0.39) PDPK1PLK4AURKAJAK2ROCK2
SCHEMBL299060 0.69 DYRK1A (0.42) PDPK1DYRK1AMKNK2CYP3A4

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