SCHEMBL2863716

SCHEMBL2863716

COc1ncc([C@H](O)CNc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.75
P2RX2 Q9UBL9 20/20 0.75

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
SCHEMBL2865768 0.92 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL2868341 0.91 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL2864242 0.91 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL2864313 0.86 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2866007 0.86 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL4759562 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2855043 0.85 P2RX3 (0.76) P2RX3P2RX2
SCHEMBL4759559 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4759888 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2867393 0.84 P2RX3 (0.84) P2RX3P2RX2

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 4 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 claimed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO claimed
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