SCHEMBL2862055

SCHEMBL2862055

COc1ccc([C@@H](CNc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)OC)cn1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.73
P2RX2 Q9UBL9 20/20 0.73

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
SCHEMBL2864242 0.91 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL2865659 0.86 P2RX3 (0.74) P2RX3P2RX2
SCHEMBL2874118 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4758038 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4759893 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4758524 0.83 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2863716 0.83 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL2856870 0.82 P2RX3 (0.76) P2RX3P2RX2
SCHEMBL4759574 0.82 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4759563 0.82 P2RX3 (1.00) 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