SCHEMBL6624830

SCHEMBL6624830

Cc1c(N2CCN(Cc3ccccc3)CC2)nc(N)n2nc(-c3ccco3)nc12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.68
ADORA1 P30542 5/20 0.68

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
SCHEMBL6624206 0.87 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL6622390 0.85 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL6624543 0.84 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL6625938 0.83 ADORA2A (0.58) ADORA2AADORA1
Hydrochloric Acid SCHEMBL6627840 0.81 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL6629505 0.79 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL6632665 0.79 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL6626704 0.76 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL6625559 0.76 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL6629261 0.74 ADORA2A (0.62) 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