SCHEMBL4575369

SCHEMBL4575369

NC(=O)C(=O)NCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.54
DUSP3 P51452 6/20 0.54
P2RX7 Q99572 5/20 0.54
RPS6KB1 P23443 1/20 0.51
NR3C2 P08235 1/20 0.50
CTSD P07339 3/20 0.48
VNN1 O95497 2/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL4575400 0.88 P2RX7 (0.51) PTPN7DUSP3P2RX7RPS6KB1CTSD
SCHEMBL15682779 0.87 PTPN7 (0.53) PTPN7DUSP3P2RX7RPS6KB1NR3C2
SCHEMBL16218921 0.82 PTPN7 (0.57) PTPN7DUSP3P2RX7RPS6KB1NR3C2
SCHEMBL17689391 0.82 PTPN7 (0.57) PTPN7DUSP3P2RX7RPS6KB1NR3C2
SCHEMBL14241834 0.79 P2RX7 (0.60) PTPN7DUSP3P2RX7
SCHEMBL15682816 0.79 P2RX7 (0.54) PTPN7DUSP3P2RX7RPS6KB1NR3C2
SCHEMBL16649581 0.79 CNR2 (0.52)
SCHEMBL12984838 0.76 NR3C2 (0.52) PTPN7DUSP3P2RX7RPS6KB1NR3C2
SCHEMBL4576236 0.76 MTOR (0.54) P2RX7RPS6KB1
SCHEMBL18415487 0.76 TRPV1 (0.48) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed