SCHEMBL298640

SCHEMBL298640

CCC(c1ccc(C(N)=O)cc1C(=O)c1c[nH]c2ncc(Br)cc12)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.37
PAK1 Q13153 2/20 0.36
CAMKK2 Q96RR4 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
PLK4 O00444 2/20 0.35
AURKA O14965 2/20 0.35
ABL1 P00519 2/20 0.35
LCK P06239 2/20 0.35
FYN P06241 2/20 0.35
FES P07332 2/20 0.35
CSF1R P07333 2/20 0.35
LYN P07948 2/20 0.35
FGFR1 P11362 2/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
FRK P42685 2/20 0.35
CLK2 P49760 2/20 0.35
BLK P51451 2/20 0.35
NEK2 P51955 2/20 0.35

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
SCHEMBL299284 0.89 BRAF (0.45) BRAFPAK1CAMKK2AAK1PLK4
SCHEMBL298910 0.85 CAMKK2 (0.44) BRAFCAMKK2KDRNEK2MAP2K1
SCHEMBL297658 0.84 DYRK1A (0.43) PAK1CAMKK2AAK1PLK4AURKA
SCHEMBL298168 0.83 PAK1 (0.49) PAK1PDPK1PAK4CYP2C19MAP3K11
SCHEMBL413438 0.83 BRAF (0.45) BRAFPAK1PLK4AURKAABL1
SCHEMBL299033 0.82 BRAF (0.46) BRAFPAK1PLK4AURKAABL1
SCHEMBL298762 0.78 PDPK1 (0.32) PLK4AURKAFESFGFR1FLT1
SCHEMBL3505473 0.77 BRAF (0.52) BRAFPAK1AAK1PLK4AURKA
SCHEMBL415659 0.77 BRAF (0.34) BRAFPAK1PLK4AURKAABL1
SCHEMBL298411 0.77 PAK1 (0.48) PAK1PDPK1PAK4CYP2C19MAP3K11

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