SCHEMBL9601680

SCHEMBL9601680

Cc1ccc2ncc3ncn(CC(C)C)c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TLR7 Q9NYK1 4/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
LMNA P02545 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
ADORA2A P29274 1/20 0.40
NUDT1 P36639 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAP3K8 P41279 2/20 0.38
TP53 P04637 1/20 0.37
CLK1 P49759 3/20 0.36
DYRK1A Q13627 3/20 0.36
HTR1A P08908 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL564029 0.81 TLR7 (0.59) POLBTLR7ADRA1DADRA1ALMNA
SCHEMBL29379266 0.81 TLR7 (0.59) POLBTLR7ADRA1DADRA1ALMNA
Hydrochloric Acid SCHEMBL5435065 0.80 TLR7 (0.58) POLBTLR7ADRA1DADRA1ALMNA
Ammonia Solution, Strong SCHEMBL4818558 0.80 TLR7 (0.58) POLBTLR7ADRA1DADRA1ALMNA
Hydrochloric Acid SCHEMBL9602331 0.79 TLR7 (0.56) POLBTLR7ADRA1DADRA1ALMNA
SCHEMBL6250227 0.78 IP6K1 (0.42) POLBTLR7ADRA1DADRA1ALMNA
SCHEMBL1486556 0.77 NMT1 (0.46) POLBTLR7ADRA1DADRA1ALMNA
SCHEMBL10587419 0.77 HDAC6 (0.46) POLBTLR7ADRA1DADRA1ALMNA
SCHEMBL3867965 0.77 TLR7 (0.42) POLBTLR7ADRA1DADRA1ALMNA
SCHEMBL10727630 0.76 TLR7 (0.51) POLBTLR7ADRA1DADRA1ALMNA

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
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US claimed
EP-0310950-B1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1993-01-13 EP disclosed
EP-0145340-B1 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-01-24 EP disclosed
EP-0310950-A1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1989-04-12 EP disclosed
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US disclosed
EP-0145340-A2 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1985-06-19 EP disclosed