SCHEMBL7210709

SCHEMBL7210709

COC(=O)c1ccc2c(c1)C(c1ncnc3cc(OCCCN4CCOCC4)c(OC)cc13)C(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.53
KDR P35968 5/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 5/20 0.51
SRC P12931 3/20 0.51
HDAC1 Q13547 2/20 0.51
AURKB Q96GD4 2/20 0.51
ROCK2 O75116 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51
MAPT P10636 1/20 0.51
PDGFRA P16234 1/20 0.51
LTK P29376 1/20 0.51
TTK P33981 1/20 0.51
MAP2K2 P36507 1/20 0.51
MAP2K1 Q02750 1/20 0.51
BTK Q06187 1/20 0.51

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
Hydrochloric Acid SCHEMBL7206849 0.99 EGFR (0.52) EGFRKDRCHEK1AURKASRC
SCHEMBL4520305 0.93 CHEK1 (0.52) EGFRKDRCHEK1AURKASRC
Hydrochloric Acid SCHEMBL7210552 0.93 CHEK1 (0.52) EGFRKDRCHEK1AURKASRC
Hydrochloric Acid SCHEMBL7209536 0.93 CHEK1 (0.52) EGFRKDRCHEK1AURKASRC
SCHEMBL7206973 0.90 CHEK1 (0.54) EGFRKDRCHEK1AURKASRC
SCHEMBL7205355 0.88 CHEK1 (0.54) EGFRKDRCHEK1AURKASRC
SCHEMBL7209868 0.88 EGFR (0.55) EGFRKDRCHEK1AURKASRC
Hydrochloric Acid SCHEMBL7211125 0.87 CHEK1 (0.54) EGFRKDRCHEK1AURKASRC
SCHEMBL6371867 0.87 CHEK1 (0.54) EGFRKDRCHEK1AURKASRC
SCHEMBL7205019 0.87 CHEK1 (0.58) EGFRKDRCHEK1AURKASRC

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-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed