SCHEMBL4693022

SCHEMBL4693022

O=C(Nc1ccccc1)Nc1ncnc2[nH]ncc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.66
MAPK1 P28482 2/20 0.65
ADORA3 P0DMS8 1/20 0.62
LMNA P02545 1/20 0.53
TTBK1 Q5TCY1 1/20 0.53
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
SLC29A1 Q99808 1/20 0.51
HTT P42858 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50

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
SCHEMBL4691855 0.86 MKNK1 (0.67) FLT3MAPK1MKNK1
SCHEMBL4686916 0.85 PAK1 (0.64) FLT3MAPK1LMNATTBK1HTT
SCHEMBL2343403 0.82 MAPK1 (0.58) FLT3MAPK1LMNATTBK1SLC29A1
SCHEMBL4686975 0.82 PAK1 (0.62) FLT3MAPK1HTTMKNK1
SCHEMBL4690820 0.82 LMNA (0.66) FLT3MAPK1ADORA3LMNAROCK2
SCHEMBL4686832 0.82 PTK2 (0.68) FLT3MAPK1LMNAHTTMKNK1
SCHEMBL17229965 0.80 FLT3 (1.00) FLT3
SCHEMBL26784629 0.80 MAPK1 (0.71) FLT3MAPK1TTBK1HTTMKNK1
SCHEMBL1406620 0.79 MAPK1 (1.00) FLT3MAPK1LMNATTBK1ROCK1
SCHEMBL26785933 0.78 MAPK1 (0.69) FLT3MAPK1TTBK1MKNK1

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 10 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
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
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP 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