SCHEMBL5828401

SCHEMBL5828401

[c]1ncc2cc3[nH]ccc3cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
NISCH Q9Y2I1 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NPC1 O15118 1/20 0.36
AHR P35869 6/20 0.35
NR4A2 P43354 2/20 0.35
CYP2A6 P11509 1/20 0.35
CMA1 P23946 1/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
TYR P14679 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
RAD51 Q06609 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
FYN P06241 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
SCHEMBL7743688 0.93 GPR84 (0.40) GPR84NISCHCSNK2A1NPC1AHR
SCHEMBL4427247 0.76 MAPK1 (0.46) CSNK2A1
SCHEMBL4427633 0.74 CHEK1 (0.44) CSNK2A1GAATLR8DYRK3CDK5
SCHEMBL35179 0.74
SCHEMBL5828991 0.72 MAPT (0.43)
SCHEMBL3525983 0.72 ALDH1A1 (0.44) NPC1CYP2A6ALOX15
SCHEMBL2530865 0.72 GPR84 (0.67) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL6771524 0.70 PDE3B (0.42)
SCHEMBL35083 0.70
SCHEMBL5828823 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed