SCHEMBL7399992

SCHEMBL7399992

CN(C)c1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.62

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
SCHEMBL7399993 1.00 ADORA2B (0.62) ADORA2B
SCHEMBL7400082 0.85
SCHEMBL7400086 0.85
SCHEMBL7397100 0.83 ADORA2B (0.62) ADORA2B
SCHEMBL7397099 0.83 ADORA2B (0.62) ADORA2B
SCHEMBL7313322 0.80 KDM4E (0.48) ADORA2B
SCHEMBL7313333 0.80 KDM4E (0.48) ADORA2B
SCHEMBL7401160 0.78
SCHEMBL7401162 0.78
SCHEMBL516344 0.77 ADORA2B (1.00) ADORA2B

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
US-5861405-A A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-19 US disclosed
WO-1994025462-A1 8-SUBSTITUTED 1,3,7-TRIALKYL-XANTHINE DERIVATIVES AS A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1994-11-10 WO disclosed