SCHEMBL6623375

SCHEMBL6623375

CN1CCN(Cc2cnc(N)n3nc(-c4ccco4)nc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
ADORA2A P29274 8/20 0.56
ADORA2B P29275 5/20 0.56
ADORA1 P30542 5/20 0.56
ADORA3 P0DMS8 3/20 0.52

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
SCHEMBL6632665 0.88 ADORA2A (0.63) ADRA2AADRA2BADRA2CADORA2AADORA2B
SCHEMBL6632330 0.88 ADRA2A (0.71) ADRA2AADRA2BADRA2CADORA2AADORA2B
SCHEMBL6624412 0.88 ADRA2A (0.62) ADRA2AADRA2BADRA2CADORA2AADORA2B
SCHEMBL6631565 0.87 ADRA2A (0.57) ADRA2AADRA2BADRA2CADORA2AADORA2B
SCHEMBL6631798 0.87 ADRA2A (0.59) ADRA2AADRA2BADRA2CADORA2AADORA1
SCHEMBL6635084 0.87 ADRA2A (0.59) ADRA2AADRA2BADRA2CADORA2AADORA1
SCHEMBL6622066 0.87 ADORA2A (0.61) ADRA2AADRA2BADRA2CADORA2AADORA1
SCHEMBL6631701 0.86 ADRA2A (0.68) ADRA2AADRA2BADRA2CADORA2AADORA2B
SCHEMBL6632830 0.86 ADRA2A (0.58) ADRA2AADRA2BADRA2CADORA2AADORA1
SCHEMBL6633011 0.85 ADRA2A (0.60) ADRA2AADRA2BADRA2CADORA2AADORA2B

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
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