SCHEMBL28688166

SCHEMBL28688166

CCCCn1ncc2c(C(=O)NN)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL28677011 0.84 HDAC1 (0.39) ADORA2AHDAC1
SCHEMBL28678286 0.80 ADORA2A (0.55) ADORA2AHDAC1
SCHEMBL28701258 0.79 HSP90AA1 (0.49)
SCHEMBL5927853 0.70
SCHEMBL1054248 0.68
SCHEMBL1056962 0.67
SCHEMBL2905021 0.66
SCHEMBL2903207 0.66
Hydrochloric Acid SCHEMBL10965065 0.66
Hydrochloric Acid SCHEMBL10965070 0.66

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
CN-113773327-B Preparation method of pyrazolopyrimidinyltriazole ring compound 八叶草健康产业研究院(厦门)有限公司 2022-07-15 CN disclosed
CN-113773327-A Preparation method of pyrazolopyrimidinyltriazole ring compound 八叶草健康产业研究院(厦门)有限公司 2021-12-10 CN disclosed