SCHEMBL8327174

SCHEMBL8327174

CCc1nc2nc(C)ccc2c(Nc2ccc(Oc3ccccn3)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 19/20 0.43
PTGS2 P35354 1/20 0.39

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
SCHEMBL8328465 0.86 PTGS2 (0.40) P2RX3PTGS2
SCHEMBL8330063 0.82 DHODH (0.43) P2RX3
SCHEMBL8327170 0.79 MAPT (0.55) PTGS2
SCHEMBL8324676 0.78 P2RX3 (0.41) P2RX3
Hydrochloric Acid SCHEMBL8323053 0.78 MAPT (0.54) PTGS2
SCHEMBL8328406 0.73 PDE10A (0.46) P2RX3
SCHEMBL8329054 0.71 MAPT (0.42)
Hydrochloric Acid SCHEMBL8327918 0.71 PDE10A (0.47) P2RX3
SCHEMBL8329674 0.70 MAPT (0.43) P2RX3PTGS2
SCHEMBL8328091 0.67 SYK (0.38)

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
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP claimed