SCHEMBL6625932

SCHEMBL6625932

COc1ccc(CNc2nc(Oc3ccccc3)c(C)c3nc(-c4ccco4)nn23)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.64
ADORA3 P0DMS8 16/20 0.64
ADORA1 P30542 14/20 0.64
ADORA2B P29275 6/20 0.60
MAPT P10636 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
SCHEMBL6627213 0.93 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6624648 0.93 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6624435 0.90 ADORA3 (0.62) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6627986 0.85 ADORA3 (0.69) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6626399 0.85 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6624126 0.80 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6624572 0.79 ADORA2A (0.60) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6047324 0.78 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6625644 0.78 ADORA3 (0.61) ADORA2AADORA3ADORA1ADORA2BMAPT
SCHEMBL6623497 0.78 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BMAPT

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