SCHEMBL9378205

SCHEMBL9378205

Cc1nnc2n1-c1ccc(C#CCn3ncc4ccccc43)cc1C(c1ccccc1F)=NC2

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.70
GABRA1 P14867 3/20 0.63
GABRA5 P31644 3/20 0.63
GABRA2 P47869 3/20 0.63
GABRB2 P47870 3/20 0.63
GABRA3 P34903 1/20 0.50

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
SCHEMBL9379183 0.86 PTAFR (0.71) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9382741 0.82 PTAFR (1.00) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9382164 0.82 PTAFR (0.70) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9383726 0.82 PTAFR (0.88) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL16063031 0.81 GABRA1 (0.79) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9379596 0.80 PTAFR (0.72) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9385465 0.80 PTAFR (0.75) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9377911 0.80 PTAFR (0.71) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9379331 0.79 GABRA1 (0.74) PTAFRGABRA1GABRA5GABRA2GABRB2
SCHEMBL9379665 0.79 PTAFR (0.78) PTAFRGABRA1GABRA5GABRA2GABRB2

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