SCHEMBL7515216

SCHEMBL7515216

CCOC(=O)C1=Cc2cc(C#N)ccc2N=C(N)C1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.70
TLR7 Q9NYK1 6/20 0.70
SETD7 Q8WTS6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELANE P08246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL12653194 0.85 TLR8 (0.83) TLR8TLR7
SCHEMBL7509353 0.83 TLR8 (0.54) TLR8TLR7KDM4ESMN1; SMN2TSHR
SCHEMBL10325225 0.82 TLR8 (0.53) TLR8TLR7KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12653050 0.82 TLR8 (1.00) TLR8TLR7
SCHEMBL8188956 0.81 TLR8 (0.53) TLR8TLR7KDM4EHSD17B10SMN1; SMN2
SCHEMBL7503802 0.81 TLR8 (0.52) TLR8TLR7MAPK1NPSR1ALDH1A1
SCHEMBL10325490 0.81 TLR8 (0.59) TLR8TLR7
SCHEMBL10325903 0.80 TLR8 (0.58) TLR8TLR7
SCHEMBL10345313 0.80 TLR8 (0.67) TLR8TLR7KDM4EHSD17B10SMN1; SMN2
SCHEMBL7505631 0.79 TLR8 (0.63) TLR8TLR7HSD17B10TSHRALDH1A1

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-0825186-B1 2-Aminobenzazepine derivatives and their use for the treatment of immunosuppression PFIZER (US) 2002-04-17 EP disclosed
US-6043238-A 2-Aminobenzazapine derivatives PFIZER INC. (US) 2000-03-28 US disclosed
EP-0825186-A1 2-Aminobenzazepine derivatives and their use for the treatment of immunosuppression PFIZER INC. (US) 1998-02-25 EP disclosed