SCHEMBL843723

SCHEMBL843723

COc1ccc(Cc2ccc3c(nc(N)c4nc(N)n(CC(C)C)c43)c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.35
MPO P05164 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL843722 0.85 TLR7 (0.43) TLR7ALDH1A1CYP2D6ATMNPSR1
SCHEMBL843185 0.75 TLR7 (0.41) TLR7ALDH1A1CYP2D6ATMNPSR1
SCHEMBL841902 0.71 TLR7 (0.43) TLR7ALDH1A1LMNASMN1; SMN2
SCHEMBL843088 0.69 TLR8 (0.44) TLR7LMNASMN1; SMN2
SCHEMBL842364 0.66 TLR7 (0.62) TLR7LMNA
SCHEMBL28872975 0.65 LTA4H (0.57) ALDH1A1CYP2D6ATMNPSR1LMNA
SCHEMBL1486442 0.65 TLR7 (0.73) TLR7
SCHEMBL1486445 0.64 TLR7 (0.68) TLR7
SCHEMBL29809256 0.63 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMNPSR1MPO
SCHEMBL29121439 0.63 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMNPSR1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed