SCHEMBL5808239

SCHEMBL5808239

[CH2]CCNn1c(CC)nc2c(N)nc3c(c21)CCCC3

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
BPTF Q12830 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
MAPK10 P53779 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5420976 0.81 ACHE (0.35) ACHEKDM4EMEN1KMT2AALDH1A1
SCHEMBL12888375 0.77 TLR7 (0.38) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL6809404 0.73 TLR7 (0.33) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL8113805 0.72 TLR7 (0.39) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL5413387 0.72 TLR7 (0.41) ACHEKDM4EALDH1A1GAAHPGD
SCHEMBL5415222 0.72 CHRNE (0.34) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL5404740 0.71 TLR7 (0.34) ACHEKDM4EALDH1A1GAAHPGD
SCHEMBL5409950 0.71 NPSR1 (0.37) ACHEKDM4EMEN1KMT2AALDH1A1
SCHEMBL25575011 0.71 TLR7 (0.46)
SCHEMBL4753517 0.71 TLR7 (0.37) ACHEKDM4EMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO claimed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed