SCHEMBL8102892

SCHEMBL8102892

Cc1nc(C(F)(F)F)ccc1CNc1ncnc2c1CN(c1ccc(Cl)cc1N)CC2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.81
P2RX2 Q9UBL9 20/20 0.81

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
SCHEMBL2863409 0.90 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8100739 0.76 P2RX3 (0.81) P2RX3P2RX2
SCHEMBL8098643 0.75 P2RX3 (0.82) P2RX3P2RX2
SCHEMBL8104653 0.74 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL2857776 0.74 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL8106333 0.73 P2RX3 (0.82) P2RX3P2RX2
SCHEMBL8096754 0.73 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL8088154 0.71 KDM4E (0.47) P2RX3P2RX2
SCHEMBL8107988 0.70 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL8097905 0.70 KDM4E (0.46) 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