SCHEMBL6624558

SCHEMBL6624558

Nc1nc(Oc2ccc(-c3ccccc3)cc2)cc2nc(-c3ccco3)nn12

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.68
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55

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
SCHEMBL6627586 0.93 ADORA2A (0.67) ADORA2AADORA3ADORA2B
SCHEMBL6624986 0.88 ADORA2A (0.61) ADORA2A
SCHEMBL6626016 0.88 ADORA2A (0.59) ADORA2AADORA3ADORA2B
SCHEMBL6624645 0.88 ADORA2A (0.59) ADORA2AADORA3ADORA2B
SCHEMBL6625305 0.84 ADORA2A (0.56) ADORA2A
SCHEMBL6625057 0.83 ADORA2A (0.67) ADORA2A
SCHEMBL6623125 0.83 ADORA2A (0.55) ADORA2A
SCHEMBL6625446 0.82 ADORA2A (0.63) ADORA2A
SCHEMBL6047334 0.81 ADORA2A (1.00) ADORA2A
SCHEMBL6626460 0.81 MAPK1 (0.51) ADORA2AADORA3ADORA2B

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