SCHEMBL8094750

SCHEMBL8094750

[c]1nc2cc(-c3nccs3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
ADRB2 P07550 1/20 0.39
CYP2A6 P11509 1/20 0.38
CHEK2 O96017 1/20 0.36
TLR9 Q9NR96 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CHEK1 O14757 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
HDAC2 Q92769 1/20 0.34
METAP1 P53582 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
VCP P55072 1/20 0.34
QPCT Q16769 1/20 0.34
LRRK2 Q5S007 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL27428191 0.88 PDPK1 (0.42) PDPK1LOXL2TLR8TLR7ADRB2
SCHEMBL27633032 0.75 KCNH2 (0.42) CYP2A6
SCHEMBL20412071 0.72 PDE3B (0.46) PDPK1LRRK2
SCHEMBL8501749 0.72 TLR8 (0.46) PDPK1LOXL2TLR8TLR7ADRB2
SCHEMBL8501746 0.72 TLR8 (0.41) PDPK1LOXL2TLR8TLR7ADRB2
SCHEMBL8499704 0.72 TLR8 (0.41) PDPK1LOXL2TLR8TLR7ADRB2
SCHEMBL7409270 0.70 DYRK3 (0.43)
SCHEMBL722198 0.70 PDPK1 (0.77) PDPK1LOXL2ADRB2CYP2A6CHEK2
SCHEMBL14720160 0.70 QPCT (0.48) PDPK1LOXL2TLR8TLR7ADRB2
SCHEMBL699438 0.69 MAP4K4 (0.36) PDPK1CHEK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105720-C Imidazopyridazines compound AOTANNA MEDICINE AG (DE) 2003-04-16 CN disclosed
US-6043242-A TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
CN-1246120-A Imidazopyridazines compound BYK GULDEN LOMBERG CHEM FAB (DE) 2000-03-01 CN disclosed
EP-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed