SCHEMBL4431432

SCHEMBL4431432

COc1cc2c(N)ncnc2cc1OCCCN1CCC(CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
AURKA O14965 5/20 0.46
FLT3 P36888 3/20 0.46
ATM Q13315 3/20 0.46
PDGFRB P09619 2/20 0.46
KIT P10721 2/20 0.46
BRAF P15056 4/20 0.45
RAF1 P04049 3/20 0.45
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
EHMT2 Q96KQ7 2/20 0.45
NSD2 O96028 1/20 0.45
EHMT1 Q9H9B1 1/20 0.44

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
SCHEMBL5494771 0.82 EGFR (0.53) AURKABRAFRAF1
SCHEMBL4422588 0.82 FLT4 (0.55) ADRA2AADRA2BADRA2CADRA1AAURKA
SCHEMBL5500589 0.82 AURKA (0.54) AURKABRAF
SCHEMBL6774801 0.82 EGFR (0.51) AURKABRAFRAF1
SCHEMBL4427451 0.82 EGFR (0.52) AURKABRAF
SCHEMBL4431352 0.81 EHMT2 (0.58) TLR9TLR7FLT3PDGFRBKIT
SCHEMBL4431208 0.80 EGFR (0.53) AURKABRAF
SCHEMBL4426202 0.77 EHMT2 (0.70) TLR9TLR7FLT3PDGFRBKIT
SCHEMBL4430442 0.76 EHMT2 (0.69) TLR9TLR7KITEHMT2EHMT1
SCHEMBL4431962 0.76 EHMT2 (0.69) TLR9TLR7KITEHMT2EHMT1

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-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP 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-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-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed