SCHEMBL4985294

SCHEMBL4985294

COc1cc2c(Cl)ncnc2cc1OCCC1CCCN1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.63
KDR P35968 11/20 0.47
EPHA2 P29317 9/20 0.47
EPHB4 P54760 8/20 0.47
CHEK1 O14757 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
FLT1 P17948 3/20 0.42
EGFR P00533 2/20 0.42
FGFR1 P11362 2/20 0.42
FLT4 P35916 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ERBB2 P04626 2/20 0.42
SSTR2 P30874 1/20 0.42
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
PDE3A Q14432 1/20 0.41

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 0.87 ENPP1 (0.46) ENPP1KDREPHA2EPHB4CHEK1
SCHEMBL6983690 0.87 ENPP1 (0.46) ENPP1KDREPHA2EPHB4CHEK1
SCHEMBL7838826 0.81 KDR (0.49) ENPP1KDREPHA2EPHB4CHEK1
SCHEMBL15520007 0.79 ENPP1 (0.56) ENPP1KDREPHA2EPHB4FLT1
SCHEMBL1132496 0.79 ENPP1 (0.58) ENPP1TLR9TLR7PDE3A
SCHEMBL1012358 0.78 ENPP1 (0.79) ENPP1KDREPHA2EPHB4FLT1
SCHEMBL1013021 0.78 ENPP1 (0.79) ENPP1KDREPHA2EPHB4FLT1
SCHEMBL662795 0.78 ENPP1 (0.79) ENPP1KDREPHA2EPHB4FLT1
SCHEMBL7154861 0.78 TLR9 (0.56) ENPP1TLR9TLR7PDE3A
SCHEMBL6977879 0.77 TRPA1 (0.52) KDREPHB4FLT1EGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed