Sugi Predict

Sugi Predict / Compounds / SCHEMBL19743326

SCHEMBL19743326

SCHEMBL19743326

C#Cc1cccc(C2(C(F)(F)F)N=N2)c1Cn1nnc2c(N3CCC(O)C3)nc(C(C)(C)C)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 1.00
▸ CNR1 P21554 4/20 0.58

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
SCHEMBL19743325 1.00 CNR2 (1.00) CNR2CNR1
SCHEMBL19743309 0.91 CNR2 (1.00) CNR2CNR1
SCHEMBL19743307 0.91 CNR2 (1.00) CNR2CNR1
SCHEMBL20964377 0.90 CNR2 (0.82) CNR2CNR1
SCHEMBL19743295 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL19743415 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL19743417 0.84 CNR2 (1.00) CNR2CNR1
SCHEMBL19744261 0.84 CNR2 (0.72) CNR2CNR1
SCHEMBL20964391 0.81 CNR2 (0.83) CNR2CNR1
SCHEMBL19744017 0.80 CNR2 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 — — EP claimed
WO-2017220516-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 — — WO claimed
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 — — EP disclosed
WO-2017220516-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 — — WO disclosed