SCHEMBL6629451

SCHEMBL6629451

CC(C)(C)c1ccc(CSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 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
SCHEMBL6624559 0.91 ADORA2A (0.61) ADORA2A
SCHEMBL6626070 0.90 ADORA2A (0.66) ADORA2A
SCHEMBL6624518 0.89 ADORA2A (0.65) ADORA2A
SCHEMBL6624396 0.89 ADORA2A (0.67) ADORA2A
SCHEMBL6623552 0.88 ADORA2A (0.64) ADORA2A
SCHEMBL6623523 0.88 ADORA2A (0.64) ADORA2A
SCHEMBL6646491 0.88 ADORA2A (0.64) ADORA2A
SCHEMBL6625577 0.87 ADORA2A (0.64) ADORA2A
SCHEMBL6626603 0.87 ADORA2A (0.62) ADORA2A
SCHEMBL6624903 0.86 ADORA2A (0.62) ADORA2A

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