SCHEMBL28580431

SCHEMBL28580431

C#Cc1cccc(C2(C(F)(F)F)C=N2)c1Cn1nc2nc(C(C)(C)C)nc(N3CCC(F)(F)C3)c2n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.83
CNR1 P21554 4/20 0.55

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
SCHEMBL19743596 0.91 CNR2 (1.00) CNR2CNR1
SCHEMBL28574941 0.90 CNR2 (0.84) CNR2CNR1
SCHEMBL20962853 0.89 CNR2 (0.83) CNR2CNR1
SCHEMBL28575511 0.87 CNR2 (0.82) CNR2
SCHEMBL19801290 0.86 CNR2 (0.79) CNR2CNR1
SCHEMBL20952014 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL19743448 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL14974064 0.81 CNR2 (0.72) CNR2CNR1
SCHEMBL20962806 0.80 CNR2 (0.84) CNR2CNR1
SCHEMBL19743415 0.79 CNR2 (1.00) CNR2CNR1

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-109311895-B Novel [1,2,3] triazolo [4,5-d ] pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-06-18 CN claimed
CN-109311895-B Novel [1,2,3] triazolo [4,5-d ] pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed