SCHEMBL9048835

SCHEMBL9048835

Cc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3c(c2n1CC(C)C)CCCC3.Cc1nc2c(N)nc3c(c2n1CC(C)C)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.39
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
VCP P55072 3/20 0.34
LMNA P02545 3/20 0.32
CASP1 P29466 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
ADORA2A P29274 1/20 0.32
ADRA1A P35348 1/20 0.32
NUDT1 P36639 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL8120835 0.94 TSHR (0.39) TSHRCYP3A4ALOX15MAPK1VCP
SCHEMBL9050816 0.90 TLR7 (0.44) TLR7TSHRLMNACASP1SMN1; SMN2
SCHEMBL8121831 0.84 USP1 (0.35) TSHRVCPLMNACASP1SMN1; SMN2
SCHEMBL8122097 0.84 KDM4E (0.36) TLR7CYP3A4MAPK1POLBADORA2A
SCHEMBL8123905 0.83 SMN1; SMN2 (0.38) TLR7TSHRVCPLMNACASP1
SCHEMBL8123022 0.83 SMN1; SMN2 (0.38) TSHRVCPLMNACASP1SMN1; SMN2
SCHEMBL8121124 0.82 KDM4E (0.36) TLR7CYP3A4MAPK1POLBADORA2A
SCHEMBL8112838 0.80 LMNA (0.36) TLR7TSHRCYP3A4VCPLMNA
SCHEMBL8115033 0.79 TLR7 (0.42) TLR7LMNASMN1; SMN2POLBHRH2
SCHEMBL8114890 0.75 TSHR (0.43) TLR7TSHRCYP3A4ALOX15MAPK1

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
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed