SCHEMBL19743399

SCHEMBL19743399

C#Cc1cccc(C2(C(F)(F)F)N=N2)c1Cn1nc2nc(C(F)(F)c3ccccc3)nc(N3CCC(O)C3)c2n1

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 2/20 0.42

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
SCHEMBL19743398 1.00 CNR2 (1.00) CNR2CNR1
SCHEMBL28574523 0.91 CNR2 (0.83) CNR2CNR1
SCHEMBL20962822 0.91 CNR2 (0.83) CNR2CNR1
SCHEMBL19743415 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL19743417 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL19743448 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL19743309 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL19743307 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL19746282 0.84 CNR2 (0.73) CNR2CNR1
SCHEMBL20943739 0.84 CNR2 (0.73) 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-3475283-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP claimed
WO-2017220544-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO claimed
EP-3475283-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220544-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO disclosed