SCHEMBL843722

SCHEMBL843722

COc1ccc(Cc2ccc3nc(N)c4nc(N)n(CC(C)C)c4c3c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
DHFR P00374 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MPO P05164 1/20 0.35
TP53 P04637 2/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL843185 0.90 TLR7 (0.41) TLR7ALDH1A1CYP2D6ATMDHFR
SCHEMBL843723 0.85 TLR7 (0.46) TLR7ALDH1A1CYP2D6ATMDHFR
SCHEMBL29809256 0.76 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMDHFRNPSR1
SCHEMBL29121439 0.76 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMDHFRNPSR1
SCHEMBL842038 0.73 ALDH1A1 (0.44) TLR7ALDH1A1CYP2D6ATMNPSR1
SCHEMBL841901 0.72 TLR7 (0.43) TLR7ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL843087 0.70 TLR7 (0.42) TLR7LMNAPOLBHTR2ATLR8
SCHEMBL29121426 0.69 ATM (0.46) ALDH1A1CYP2D6ATMNPSR1MPO
SCHEMBL29809123 0.69 ATM (0.46) ALDH1A1CYP2D6ATMNPSR1MPO
SCHEMBL842364 0.65 TLR7 (0.62) TLR7LMNAPOLBHTR2ATLR8

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