SCHEMBL19682489

SCHEMBL19682489

O=c1nc(Nc2ccc(Oc3cncnc3)cc2)n(Cc2ccc(Cl)cc2)c2ncn(CCCF)c12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.47

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
SCHEMBL19682961 0.93 P2RX3 (0.48) P2RX3
SCHEMBL19682880 0.89 P2RX3 (0.51) P2RX3
SCHEMBL19683043 0.88 P2RX3 (0.52) P2RX3
SCHEMBL19682705 0.88 P2RX3 (0.57) P2RX3
SCHEMBL19682487 0.88 P2RX3 (0.46) P2RX3
SCHEMBL19683032 0.87 P2RX3 (0.56) P2RX3
SCHEMBL19682946 0.86 P2RX3 (0.58) P2RX3
SCHEMBL19682700 0.85 P2RX3 (0.53) P2RX3
SCHEMBL19682478 0.85 P2RX3 (0.59) P2RX3
SCHEMBL19683036 0.84 P2RX3 (0.47) 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 1 patent. 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