SCHEMBL17814748

SCHEMBL17814748

O=c1nc(Nc2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c2ncn(CCF)c12

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.62

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
SCHEMBL19682481 0.91 P2RX3 (0.55) P2RX3
SCHEMBL19682485 0.91 P2RX3 (0.62) P2RX3
SCHEMBL19682696 0.90 P2RX3 (0.50) P2RX3
SCHEMBL19682671 0.90 P2RX3 (0.62) P2RX3
SCHEMBL17814725 0.90 P2RX3 (0.65) P2RX3
SCHEMBL19683037 0.88 P2RX3 (0.48) P2RX3
SCHEMBL19683027 0.88 P2RX3 (0.55) P2RX3
SCHEMBL17814750 0.88 P2RX3 (0.59) P2RX3
SCHEMBL17814703 0.87 P2RX3 (0.61) P2RX3
SCHEMBL17814751 0.87 P2RX3 (0.57) 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