SCHEMBL7572093

SCHEMBL7572093

COc1cc(Nc2ncnc3cc(OCC(CN4CCCCC4)OC(C)=O)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.58
SRC P12931 2/20 0.58
RIPK2 O43353 1/20 0.58
NOD1 Q9Y239 1/20 0.58
AURKA O14965 1/20 0.52
KDR P35968 12/20 0.51
EPHB4 P54760 3/20 0.51
EPHA2 P29317 2/20 0.51
RET P07949 1/20 0.51
KIF5B P33176 1/20 0.51
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
CSK P41240 1/20 0.48
TEK Q02763 1/20 0.48

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
SCHEMBL14564693 0.87 KDR (0.60) EGFRKDRRETKIF5BFGFR1
SCHEMBL14564692 0.86 KDR (0.61) EGFRKDREPHA2RETKIF5B
Hydrochloric Acid SCHEMBL7581670 0.86 EGFR (0.63) EGFRSRCRIPK2NOD1AURKA
SCHEMBL3677434 0.85 KDR (0.61) EGFRSRCAURKAKDREPHB4
SCHEMBL3672100 0.85 KDR (0.61) EGFRSRCAURKAKDREPHB4
SCHEMBL3675120 0.84 KDR (0.48) EGFRSRCAURKAKDREPHB4
SCHEMBL5219211 0.84 ENPP1 (0.49) EGFRAURKAKDREPHB4EPHA2
SCHEMBL3673766 0.84 KDR (0.62) EGFRSRCAURKAKDREPHB4
SCHEMBL3738451 0.84 KDR (0.62) EGFRSRCAURKAKDREPHB4
SCHEMBL3674395 0.83 KDR (0.49) EGFRSRCAURKAKDREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed