SCHEMBL5542477

SCHEMBL5542477

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)n(-c2ccc3c(c2)CCN(C(=O)O)C3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
ROCK2 O75116 3/20 0.48
MAP4K4 O95819 2/20 0.48
LCK P06239 2/20 0.48
RET P07949 2/20 0.48
PIM1 P11309 2/20 0.48
RPS6KB1 P23443 2/20 0.48
BLK P51451 2/20 0.48
STK3 Q13188 2/20 0.48
ROCK1 Q13464 2/20 0.48
NTRK3 Q16288 2/20 0.48
TAOK1 Q7L7X3 2/20 0.48
HIPK4 Q8NE63 2/20 0.48
AURKB Q96GD4 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
PRKD3 O94806 1/20 0.48
NTRK1 P04629 1/20 0.48

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
SCHEMBL2072949 0.92 KDR (0.48) KDRROCK2MAP4K4LCKRET
SCHEMBL5052179 0.91 KDR (0.54) KDRROCK2MAP4K4LCKRET
SCHEMBL5054994 0.89 KDR (0.53) KDRROCK2MAP4K4LCKRET
SCHEMBL2082144 0.87 KDR (0.53) KDRROCK2MAP4K4LCKRET
Hydrochloric Acid SCHEMBL2082034 0.86 KDR (0.53) KDRROCK2MAP4K4LCKRET
SCHEMBL5060551 0.85 KDR (0.53) KDRROCK2MAP4K4LCKRET
SCHEMBL5056378 0.85 KDR (0.47) KDRROCK2MAP4K4LCKRET
SCHEMBL2085188 0.85 KDR (0.52) KDRROCK2MAP4K4LCKRET
SCHEMBL2084628 0.84 KDR (0.48) KDRROCK2MAP4K4LCKRET
SCHEMBL2081755 0.83 KDR (0.47) KDRROCK2MAP4K4LCKRET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed