SCHEMBL7832002

SCHEMBL7832002

CC(C)(O)CNc1c(N)c(N)nc2ccc(Cc3ccccc3)c(Cc3ccccc3)c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.33
TLR8 Q9NR97 6/20 0.33
DHFR P00374 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL7832974 0.88 TLR8 (0.39) TLR7TLR8DHFR
SCHEMBL7823367 0.87 LMNA (0.41)
SCHEMBL7823333 0.82 ESR1 (0.38) TLR7TLR8
Hydrochloric Acid SCHEMBL7834755 0.81 ESR1 (0.38) TLR7TLR8
Hydrochloric Acid SCHEMBL8121167 0.78 DHFR (0.38) TLR8DHFR
SCHEMBL7843574 0.75 LMNA (0.42) TLR8
SCHEMBL9273378 0.72 TLR7 (0.62) TLR7TLR8
SCHEMBL3639875 0.70 DHFR (0.55) DHFR
SCHEMBL7832293 0.70 LMNA (0.43)
SCHEMBL29809256 0.69 ALDH1A1 (0.55) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP claimed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP claimed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO claimed
EP-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO disclosed