SCHEMBL19265665

SCHEMBL19265665

CCOC(=O)C1=Cc2cc(C3=CCN(C(=O)OCC)CC3)ccc2N=C(N=NN)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.34
▸ QDPR P09417 2/20 0.34
▸ JAK1 P23458 5/20 0.34
▸ JAK2 O60674 4/20 0.34
▸ LIPC P11150 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10345316 0.88 TLR8 (0.48) TLR8TLR7KITMAPTKDM4E
SCHEMBL15496639 0.82 TLR8 (0.47) TLR8TLR7MAPTKDM4EALDH1A1
SCHEMBL19265669 0.81 TLR8 (0.49) TLR8TLR7MAPTALDH1A1JAK2
SCHEMBL19265485 0.80 TLR8 (0.49) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL10345341 0.80 TLR8 (0.45) TLR8TLR7KITALDH1A1QDPR
SCHEMBL18772121 0.72 TLR8 (0.52) TLR8TLR7ALDH1A1HPGD
SCHEMBL18772071 0.72 TLR8 (0.46) TLR8TLR7MAPTKDM4EALDH1A1
SCHEMBL18772040 0.71 TLR8 (0.45) TLR8TLR7
SCHEMBL18772144 0.71 TLR8 (0.45) TLR8TLR7
SCHEMBL19416472 0.70 TLR8 (0.43) TLR8TLR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
Send feedback