SCHEMBL17814745

SCHEMBL17814745

CCn1cnc2c1c(=O)nc(Nc1ccc(O[C@@H](C)C(F)(F)F)cc1)n2Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.58

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
SCHEMBL17814731 1.00 P2RX3 (0.58) P2RX3
SCHEMBL17814730 0.91 P2RX3 (0.64) P2RX3
SCHEMBL19682474 0.91 P2RX3 (0.56) P2RX3
SCHEMBL17814694 0.91 P2RX3 (0.55) P2RX3
SCHEMBL19682708 0.89 P2RX3 (0.53) P2RX3
SCHEMBL19682707 0.89 P2RX3 (0.53) P2RX3
SCHEMBL17814744 0.89 P2RX3 (0.51) P2RX3
SCHEMBL17814695 0.88 P2RX3 (0.56) P2RX3
SCHEMBL17814723 0.87 BRD4 (0.48) P2RX3
SCHEMBL17814697 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