SCHEMBL2867255

SCHEMBL2867255

FC(F)(F)c1ccc(CCNc2ncnc3c2CN(Cc2ccccc2)CC3)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.55
P2RX2 Q9UBL9 7/20 0.55
FAAH O00519 1/20 0.50
AKT1 P31749 2/20 0.46
MYLK Q15746 2/20 0.46
MAPK14 Q16539 2/20 0.46
CLPP Q16740 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CFTR P13569 6/20 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
SCHEMBL2863092 0.91 P2RX3 (0.66) P2RX3P2RX2FAAHCLPP
SCHEMBL2849779 0.84 FAAH (0.70) P2RX3P2RX2FAAH
SCHEMBL4340084 0.83 CLPP (0.50) AKT1MYLKMAPK14CLPPMEN1
SCHEMBL4759871 0.80 P2RX3 (0.64) P2RX3P2RX2FAAH
SCHEMBL2867254 0.80 P2RX3 (0.64) P2RX3P2RX2FAAH
SCHEMBL4340134 0.79 P2RX3 (0.65) P2RX3P2RX2
SCHEMBL4341209 0.78 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL2860308 0.77 P2RX3 (0.57) P2RX3P2RX2CLPP
SCHEMBL16510168 0.77 BRS3 (0.49) P2RX3P2RX2CLPPMEN1KMT2A
SCHEMBL4872158 0.76 FAAH (0.73) P2RX3P2RX2FAAH

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-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed