SCHEMBL4690820

SCHEMBL4690820

O=C(NCc1ccccc1)Nc1ncnc2[nH]ncc12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
SLC29A1 Q99808 1/20 0.56
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 1/20 0.54
MAPK1 P28482 3/20 0.52
FLT3 P36888 4/20 0.49
CYP1A2 P05177 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CLK4 Q9HAZ1 1/20 0.46
POLB P06746 1/20 0.45
MMP3 P08254 1/20 0.45
PTK2 Q05397 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL4686842 0.86 SLC29A1 (0.61) LMNASLC29A1ROCK2ROCK1MAPK1
SCHEMBL4693022 0.82 FLT3 (0.66) LMNASLC29A1ROCK2ROCK1MAPK1
SCHEMBL14559577 0.80 ALDH1A1 (0.55) LMNASLC29A1MAPK1FLT3CYP1A2
SCHEMBL4690818 0.79 ADORA3 (0.48) LMNAROCK2ROCK1MAPK1CYP1A2
SCHEMBL2343403 0.78 MAPK1 (0.58) LMNASLC29A1MAPK1FLT3PTK2
SCHEMBL4686975 0.75 PAK1 (0.62) MAPK1FLT3PTK2KDM4E
SCHEMBL4686832 0.75 PTK2 (0.68) LMNAMAPK1FLT3POLBPTK2
SCHEMBL14559625 0.73 CYP1A2 (0.51) SLC29A1MAPK1FLT3CYP1A2POLB
SCHEMBL19646931 0.73 TTBK1 (0.62) LMNAMAPK1FLT3CYP1A2
SCHEMBL5078942 0.73 CFD (0.56) ROCK2ROCK1ADORA3NPSR1CLK4

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
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN claimed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
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
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed