SCHEMBL4576018

SCHEMBL4576018

NC(=O)C(=O)NCc1cccc(C(F)(F)F)c1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.54
CD38 P28907 1/20 0.47
CFD P00746 2/20 0.43
EPHX2 P34913 2/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL30152460 0.87 P2RX7 (0.55) P2RX7CD38EPHX2FPR3FPR2
SCHEMBL23195275 0.87 P2RX7 (0.55) P2RX7CD38EPHX2FPR3FPR2
SCHEMBL4576032 0.86 EPHX2 (0.55) P2RX7EPHX2
SCHEMBL3294867 0.83 P2RX7 (0.57) P2RX7CD38EPHX2FPR3FPR2
SCHEMBL30252237 0.82 P2RX7 (0.56) P2RX7CD38EPHX2FPR3FPR2
SCHEMBL4576232 0.77 P2RX7 (0.55) P2RX7EPHX2
SCHEMBL31645651 0.76 P2RX7 (0.47) P2RX7CD38
SCHEMBL27913635 0.75 KMT2A (0.56) P2RX7EPHX2
SCHEMBL13568952 0.73 P2RX7 (0.43) P2RX7CD38CFDEPHX2FPR3
SCHEMBL4586644 0.73 EPHX2 (0.57) P2RX7CD38EPHX2

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