SCHEMBL17814749

SCHEMBL17814749

CCc1nc2ccc(Nc3nc(=O)c4c(ncn4CC)n3Cc3ccc(Cl)cc3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.66

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
SCHEMBL19682709 0.93 P2RX3 (0.59) P2RX3
SCHEMBL19683048 0.91 P2RX3 (0.59) P2RX3
SCHEMBL17814699 0.91 P2RX3 (0.66) P2RX3
SCHEMBL17814719 0.91 P2RX3 (0.65) P2RX3
SCHEMBL17814753 0.83 P2RX3 (0.56) P2RX3
SCHEMBL19683050 0.83 P2RX3 (0.60) P2RX3
SCHEMBL19683051 0.82 P2RX3 (0.61) P2RX3
SCHEMBL19682690 0.81 P2RX3 (0.60) P2RX3
SCHEMBL19683049 0.81 P2RX3 (0.60) P2RX3
SCHEMBL17814700 0.80 P2RX3 (0.66) P2RX3

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
WO-2017209267-A1 PURINE DERIVATIVE 塩野義製薬株式会社 2017-12-07 WO disclosed
WO-2016088838-A1 PURINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF 塩野義製薬株式会社 2016-06-09 WO disclosed