SCHEMBL4590452

SCHEMBL4590452

COc1cc2ncnc(Cl)c2cc1OCCCC1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.59
KDR P35968 9/20 0.48
FLT1 P17948 6/20 0.48
EGFR P00533 5/20 0.48
FGFR1 P11362 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 2/20 0.45
EPHA2 P29317 5/20 0.44
EPHB4 P54760 4/20 0.44
EHMT2 Q96KQ7 1/20 0.43
FLT3 P36888 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ERBB2 P04626 2/20 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
SCHEMBL4593476 1.00 ENPP1 (0.59) ENPP1KDRFLT1EGFRFGFR1
SCHEMBL6986140 0.87 KDR (0.48) ENPP1KDRFLT1EGFRFGFR1
SCHEMBL28984912 0.86 EHMT2 (0.47) ENPP1KDRFLT1EGFRFGFR1
Hydrochloric Acid SCHEMBL8509328 0.83 KDR (0.43) KDRFLT1EGFRFGFR1FLT4
SCHEMBL15520006 0.82 EPHA2 (0.58) ENPP1KDRKITEPHA2EPHB4
SCHEMBL6478003 0.81 ENPP1 (0.54) ENPP1KDRFLT1EGFRFGFR1
SCHEMBL6585248 0.80 EHMT2 (0.43) KDRFLT1EGFRFGFR1FLT4
SCHEMBL7167285 0.79 ENPP1 (0.55) ENPP1KDRFLT1EGFRFGFR1
SCHEMBL15667853 0.78 ENPP1 (0.60) ENPP1KITTLR9TLR7
SCHEMBL1013021 0.78 ENPP1 (0.79) ENPP1KDRFLT1EGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed