SCHEMBL9379443

SCHEMBL9379443

C#Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 1.00
OPRK1 P41145 1/20 0.70
PDE4D Q08499 1/20 0.70

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
SCHEMBL9379408 0.88 PTAFR (1.00) PTAFROPRK1PDE4D
SCHEMBL9383295 0.88 PTAFR (1.00) PTAFR
SCHEMBL11509934 0.86 PTAFR (0.79) PTAFROPRK1PDE4D
SCHEMBL8928433 0.86 PTAFR (0.79) PTAFROPRK1PDE4D
SCHEMBL9382764 0.86 PTAFR (0.79) PTAFR
Brotizolam SCHEMBL44067 0.84 PTAFR (1.00) PTAFROPRK1PDE4D
SCHEMBL9379295 0.84 PTAFR (1.00) PTAFROPRK1PDE4D
Brotizolam SCHEMBL29396298 0.84 PTAFR (1.00) PTAFROPRK1PDE4D
SCHEMBL9384759 0.84 PTAFR (1.00) PTAFR
SCHEMBL27314358 0.83 PTAFR (0.78) PTAFR

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-0320992-B1 Triazolodiazepine derivatives HOFFMANN LA ROCHE (CH) 1994-07-27 EP disclosed
US-4959361-A Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists HOFFMANN-LA ROCHE INC. (US) 1990-09-25 US disclosed
EP-0320992-A2 Triazolodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-06-21 EP disclosed