SCHEMBL25959237

SCHEMBL25959237

CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MTNR1A P48039 5/20 0.38
MTNR1B P49286 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 3/20 0.35
HTT P42858 1/20 0.34
NMT2 O60551 2/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
NMT1 P30419 2/20 0.34
NCF1 P14598 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL20547228 0.81 TLR8 (0.36) TLR7MCHR1NCF1
SCHEMBL20547479 0.81 TLR7 (0.40) TLR7MCHR1NCF1
SCHEMBL21712374 0.81 TLR8 (0.45) TLR7MCHR1HTTNCF1
SCHEMBL30662199 0.81 TLR8 (0.45) TLR7MCHR1HTTNCF1
Hydrochloric Acid SCHEMBL21712391 0.81 TLR8 (0.36) TLR7MCHR1NCF1
Hydrochloric Acid SCHEMBL30612948 0.81 TLR8 (0.36) TLR7MCHR1NCF1
SCHEMBL30662172 0.81 NCF1 (0.39) TLR7NCF1
SCHEMBL21712361 0.81 NCF1 (0.39) TLR7NCF1
SCHEMBL30662177 0.80 TLR7 (0.53) TLR7KDM4EALDH1A1HPGDMTNR1A
SCHEMBL21712415 0.80 TLR7 (0.53) TLR7KDM4EALDH1A1HPGDMTNR1A

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-3615539-B1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-08-09 EP disclosed