SCHEMBL6983690

SCHEMBL6983690

COc1cc2c(N)ncnc2cc1OCCC1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.46
CHEK1 O14757 1/20 0.43
EHMT2 Q96KQ7 2/20 0.43
KDR P35968 6/20 0.43
EPHA2 P29317 5/20 0.43
EPHB4 P54760 5/20 0.43
EGFR P00533 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
EHMT1 Q9H9B1 1/20 0.41
AXL P30530 2/20 0.41
MERTK Q12866 2/20 0.41
TYRO3 Q06418 1/20 0.41
PDE3A Q14432 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
MAP4K4 O95819 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
SCHEMBL7625312 1.00 ENPP1 (0.46) ENPP1CHEK1EHMT2KDREPHA2
SCHEMBL4985294 0.87 ENPP1 (0.63) ENPP1CHEK1EHMT2KDREPHA2
SCHEMBL7838826 0.81 KDR (0.49) ENPP1CHEK1EHMT2KDREPHA2
SCHEMBL7145959 0.80 CHEK2 (0.43) CHRNB4CHRNA3
SCHEMBL1132496 0.79 ENPP1 (0.58) ENPP1TLR9TLR7PDE3A
SCHEMBL7154861 0.78 TLR9 (0.56) ENPP1TLR9TLR7PDE3A
SCHEMBL6977879 0.77 TRPA1 (0.52) KDREPHB4EGFRFGFR1FLT1
SCHEMBL6986140 0.77 KDR (0.48) ENPP1EHMT2KDREPHA2EPHB4
SCHEMBL4431419 0.76 EHMT2 (0.61) EHMT2KDREPHA2EPHB4EGFR
SCHEMBL4419423 0.76 EHMT2 (0.61) EHMT2KDREPHA2EPHB4EGFR

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