SCHEMBL6624442

SCHEMBL6624442

Cc1c(Oc2ccc(Br)cc2)nc(N)n2nc(-c3ccco3)nc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
CSNK1E P49674 1/20 0.55
ADORA2A P29274 12/20 0.53
ADORA2B P29275 10/20 0.53
ADORA3 P0DMS8 10/20 0.53
ADORA1 P30542 11/20 0.48

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
SCHEMBL6628380 0.90 ADORA2A (0.65) CSNK1A1CSNK1DCSNK1EADORA2AADORA2B
SCHEMBL6624648 0.76 ADORA2A (0.61) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6627407 0.76 ADORA2A (0.64) CSNK1A1CSNK1DCSNK1EADORA2AADORA2B
SCHEMBL6629612 0.75 ADORA3 (0.60) CSNK1A1CSNK1DCSNK1EADORA2AADORA2B
SCHEMBL9327327 0.73 ADORA3 (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7708567 0.73 ADORA2A (0.51) CSNK1A1CSNK1DCSNK1EADORA2AADORA2B
SCHEMBL22013573 0.71 CSNK1A1 (1.00) CSNK1A1CSNK1DCSNK1EADORA2AADORA2B
SCHEMBL9327042 0.71 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7829659 0.69 ADORA3 (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL22013580 0.69 ADORA2A (0.70) CSNK1A1CSNK1DCSNK1EADORA2AADORA2B

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