SCHEMBL6986140

SCHEMBL6986140

COc1cc2c(N)ncnc2cc1OCCCC1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
EGFR P00533 5/20 0.48
FGFR1 P11362 5/20 0.48
FLT1 P17948 5/20 0.48
FLT4 P35916 5/20 0.48
AXL P30530 2/20 0.47
MERTK Q12866 2/20 0.47
TYRO3 Q06418 1/20 0.47
KIT P10721 4/20 0.45
ENPP1 P22413 3/20 0.44
EHMT2 Q96KQ7 2/20 0.43
FLT3 P36888 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
EPHA2 P29317 2/20 0.40
EPHB4 P54760 1/20 0.40
KMT5A Q9NQR1 1/20 0.39

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
SCHEMBL4590452 0.87 ENPP1 (0.59) KDREGFRFGFR1FLT1FLT4
SCHEMBL4593476 0.87 ENPP1 (0.59) KDREGFRFGFR1FLT1FLT4
SCHEMBL6585248 0.80 EHMT2 (0.43) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL8509328 0.79 KDR (0.43) KDREGFRFGFR1FLT1FLT4
SCHEMBL7624534 0.79 SLC6A2 (0.40) KDREGFREPHB4
SCHEMBL15667853 0.78 ENPP1 (0.60) KITENPP1TLR9TLR7
SCHEMBL28984912 0.78 EHMT2 (0.47) KDREGFRFGFR1FLT1FLT4
SCHEMBL6983690 0.77 ENPP1 (0.46) KDREGFRFGFR1FLT1FLT4
SCHEMBL7625312 0.77 ENPP1 (0.46) KDREGFRFGFR1FLT1FLT4
SCHEMBL6591706 0.77 EHMT2 (0.44) KDRAXLMERTKKITEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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