SCHEMBL8104628

SCHEMBL8104628

COc1ccc(CNc2ncnc3c2CN(c2ccc(Br)cc2N)CC3)cn1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.80
P2RX2 Q9UBL9 20/20 0.80

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
SCHEMBL8107275 0.91 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8104653 0.90 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL2855097 0.89 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2874118 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL14028892 0.81 P2RX3 (0.83) P2RX3P2RX2
SCHEMBL2869361 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8107988 0.78 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8095174 0.76 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL2856878 0.74 P2RX3 (0.60) P2RX3P2RX2
SCHEMBL2862632 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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