SCHEMBL8499704

SCHEMBL8499704

Clc1nc2cc(-c3nccs3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
PDPK1 O15530 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
METAP1 P53582 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRB2 P07550 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CYP2A6 P11509 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CHEK1 O14757 2/20 0.36
CDK7 P50613 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL8499706 0.88 PDE10A (0.44) TLR8TLR7PDPK1LOXL2METAP1
SCHEMBL8501746 0.82 TLR8 (0.41) TLR8TLR7PDPK1LOXL2METAP1
SCHEMBL8501749 0.82 TLR8 (0.46) TLR8TLR7PDPK1LOXL2METAP1
SCHEMBL8094750 0.72 PDPK1 (0.42) TLR8TLR7PDPK1LOXL2METAP1
SCHEMBL9959860 0.72 TLR8 (0.47) TLR8TLR7PDPK1LOXL2METAP1
SCHEMBL13142475 0.71 PDPK1 (0.57) PDPK1LOXL2METAP1ADORA2AADORA1
SCHEMBL2878855 0.71 DYRK3 (0.46) PRKAG1PRKAA2PRKAB1RAB9AESR2
SCHEMBL9095521 0.71 GUSB (0.51) PDPK1LOXL2
SCHEMBL679566 0.71 PDPK1 (0.52) PDPK1LOXL2ADORA2AADORA1ADRB2
SCHEMBL8088436 0.71 PDE10A (0.44) TLR8TLR7PDPK1LOXL2METAP1

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