SCHEMBL7541745

SCHEMBL7541745

CCCCCn1ccc2cnc3ccccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.47
TLR8 Q9NR97 6/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MPO P05164 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
GLO1 Q04760 1/20 0.39
SLC9A1 P19634 1/20 0.38
SLC2A1 P11166 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
S1PR2 O95136 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30539936 0.84 KDM4E (0.46) TLR7HTR2AHTR2CHTR2BKDM4E
SCHEMBL15924790 0.78 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL9602914 0.78 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL15924453 0.78 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL10587719 0.78 TLR7 (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL11709817 0.77 HTR2A (0.54) TLR8HTR2AHTR2CCDK4CCND1
SCHEMBL9412483 0.76 KDM4E (0.50) TLR7HTR2CHTR2BKDM4EGPR3
SCHEMBL28004657 0.75 KDM4E (0.37) TLR7HTR2AHTR2CHTR2BKDM4E
SCHEMBL2029970 0.74 PDE4A (0.47) TLR7PDE4APDE4BPDE4CPDE4D
Quinoline SCHEMBL27614414 0.74 HTR2A (0.48) TLR8MPOHTR2AHTR2CHTR2B

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
EP-0966466-B1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RES INST CHEM TECH (KR) 2002-07-03 EP disclosed
US-6011044-A ANTIULCER AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-04 US disclosed
EP-0966466-A1 PYRROLO 3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-12-29 EP disclosed
WO-1999009029-A1 PYRROLO[3,2-c]QUINOLINE DERIVATIVES CONTAINING HALOALKOXY GROUP AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-02-25 WO disclosed