Sugi Predict

Sugi Predict / Compounds / SCHEMBL6969049

SCHEMBL6969049

SCHEMBL6969049

Cc1ncc(C(C)C)c([O])n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90B1 P14625 2/20 0.35
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL2609311 0.76 P2RX3 (0.36) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL19296126 0.74 P2RX3 (0.39) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL16369417 0.73 P2RX3 (0.35) P2RX3P2RX2HSP90AA1HSP90B1BRD4
SCHEMBL13390953 0.73 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL16369426 0.73 HSP90AA1 (0.38) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL16369415 0.73 P2RX3 (0.35) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL25451239 0.71 HSP90AA1 (0.37) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL19105643 0.71 GLP1R (0.38) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL16476942 0.70 P2RX3 (0.33) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL10216223 0.70 P2RX3 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed