SCHEMBL7488052

SCHEMBL7488052

O=c1[nH]c(=O)n(-c2ccnc(Cl)n2)cc1C1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 11/20 0.44
▸ RPS6KA5 O75582 1/20 0.35
▸ GAA P10253 1/20 0.32
▸ TRPV1 Q8NER1 3/20 0.31

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
SCHEMBL7485288 0.85 P2RY2 (0.38) P2RY2RPS6KA5GAA
SCHEMBL7496798 0.80 P2RY2 (0.35) P2RY2GAA
SCHEMBL7493681 0.80 P2RY2 (0.43) P2RY2
SCHEMBL7491790 0.79 P2RY2 (0.47) P2RY2
SCHEMBL7487100 0.79 P2RY2 (0.34) P2RY2GAA
SCHEMBL7492901 0.78 P2RY2 (0.37) P2RY2
SCHEMBL7488365 0.76 P2RY2 (0.34) P2RY2
SCHEMBL7509963 0.73 P2RY2 (0.32) P2RY2
SCHEMBL7486664 0.70 P2RY2 (0.50) P2RY2
SCHEMBL7488855 0.70 P2RY2 (0.49) P2RY2

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-0996617-B1 2,4-Dithi(oxo)-pyridin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists ASTRAZENECA AB (SE) 2002-01-09 — — EP disclosed
Send feedback