SCHEMBL6624650

SCHEMBL6624650

COc1ccc(CNc2ncc(C(O)C(C)C)c3nc(-c4ccco4)nn23)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.72
ADORA2A P29274 16/20 0.72
ADORA1 P30542 16/20 0.72
ADORA2B P29275 6/20 0.70

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
SCHEMBL6629585 0.89 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6624470 0.85 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6626862 0.85 ADORA3 (0.83) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6625227 0.85 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6624951 0.84 ADORA3 (0.87) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6624833 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6636172 0.84 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6623318 0.84 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6625040 0.83 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6624223 0.83 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976753-B1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-01-02 EP disclosed
US-6222035-B1 AS ADENOSINE A.SUB.2A RECEPTOR ANTAGONISTS AND ARE USEFUL FOR THERAPY OR OR PROPHYLAXIS OF VARIOUS DISEASES INDUCED BY HYPERACTIVITY OF ADENOSINE A.SUB.2A RECEPTORS SUCH AS PARKINSON'S DISEASE, SENILE DEMENTIA OR DEPRESSION KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-24 US disclosed
EP-0976753-A1 [1,2,4]TRIAZOLO[1,5-c]PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-02 EP disclosed