SCHEMBL5499599

SCHEMBL5499599

COC(=O)c1cc(C#N)c(N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 4/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL24761763 0.89 KDM4E (0.53) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL1567762 0.83 KDM4E (0.54) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL1706638 0.83 KDM4E (0.60) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL2596458 0.83 GAA (0.60) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL9853904 0.81 KDM4E (0.43) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL2701033 0.81 GAA (0.61) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL31750055 0.81 KDM4E (0.49) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL2424785 0.81 KDM4E (0.49) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL3618785 0.81 GAA (0.52) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL1707041 0.80 KDM4E (0.44) GAAKDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 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-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 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-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed