SCHEMBL6628014

SCHEMBL6628014

C[C@@H]1CN(c2cc3nc(-c4ccco4)nn3c(N)n2)C[C@H](C)N1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.62
ADORA1 P30542 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
SCHEMBL6628018 1.00 ADORA2A (0.62) ADORA2AADORA1
Hydrochloric Acid SCHEMBL6626068 0.86 ADORA2A (0.61) ADORA2AADORA1
Hydrochloric Acid SCHEMBL6626073 0.86 ADORA2A (0.61) ADORA2AADORA1
SCHEMBL6628558 0.82 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL6628570 0.82 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL6629182 0.81 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6629185 0.81 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6625642 0.81 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL6196510 0.81 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL6622137 0.81 ADORA2A (0.68) ADORA2AADORA1

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