SCHEMBL8501749

SCHEMBL8501749

Cc1nc2cc(-c3nccs3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
PDPK1 O15530 1/20 0.41
ADRB2 P07550 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK1 O14757 2/20 0.39
TLR9 Q9NR96 1/20 0.39
PDE10A Q9Y233 1/20 0.39
METAP1 P53582 1/20 0.39
PRKCI P41743 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2A6 P11509 1/20 0.37
SMPD3 Q9NY59 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8501746 0.82 TLR8 (0.41) TLR8TLR7PDPK1ADRB2LOXL2
SCHEMBL8499704 0.82 TLR8 (0.41) TLR8TLR7PDPK1ADRB2LOXL2
SCHEMBL25457211 0.79 RAB9A (0.53) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL9959860 0.78 TLR8 (0.47) TLR8TLR7PDPK1ADRB2LOXL2
SCHEMBL12052868 0.77 POLB (0.51) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL5306795 0.75 RAB9A (0.48) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL11221691 0.73 PDE3B (0.49) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL13041695 0.73 RAB9A (0.64) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL5307575 0.72 NISCH (0.51) TLR8TLR7MEN1NPC1POLB
SCHEMBL8094750 0.72 PDPK1 (0.42) TLR8TLR7PDPK1ADRB2LOXL2

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-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