SCHEMBL5497624

SCHEMBL5497624

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1NCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
PDPK1 O15530 2/20 0.49
CSF1R P07333 1/20 0.48
SRC P12931 4/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
EGFR P00533 4/20 0.46
KDR P35968 8/20 0.46
FGFR1 P11362 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
TRPA1 O75762 1/20 0.45
MET P08581 3/20 0.45
HDAC1 Q13547 1/20 0.44
MAPT P10636 2/20 0.44
CIT O14578 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
SCHEMBL4421864 0.86 SRC (0.59) CSF1RSRCEGFRKDRFGFR1
SCHEMBL4421705 0.84 EGFR (0.55) CSF1RSRCEGFRKDRFGFR1
SCHEMBL5499555 0.83 TRPA1 (0.52) EGFRKDRFGFR1FLT1TRPA1
SCHEMBL4422271 0.82 QPCT (0.46) EGFRKDRFGFR1FLT1TRPA1
SCHEMBL4416517 0.82 KDM4E (0.43) KDM4ECSF1RSRCEGFRKDR
SCHEMBL4421990 0.81 TRPA1 (0.56) CSF1REGFRKDRFGFR1FLT1
SCHEMBL4424518 0.79 KDM4E (0.68) KDM4EPDPK1SRCUSP2CYP1A2
SCHEMBL4420738 0.78 KDR (0.66) CSF1RSRCEGFRKDRFGFR1
SCHEMBL4419529 0.78 KDR (0.60) CSF1RSRCEGFRKDRFGFR1
SCHEMBL4424919 0.76 KDR (0.60) CSF1RSRCEGFRKDRFGFR1

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
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
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 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-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