SCHEMBL8525577

SCHEMBL8525577

COc1cc2c(C3C(=O)Nc4ccccc43)ncnc2cc1OCCN(C)S(=O)(=O)CCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
SRC P12931 8/20 0.47
EGFR P00533 5/20 0.44
KDR P35968 2/20 0.43
KIT P10721 2/20 0.43
AURKA O14965 3/20 0.43
AURKB Q96GD4 2/20 0.43
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
MAPT P10636 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43
TTK P33981 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL7205019 0.90 CHEK1 (0.58) CHEK1SRCEGFRKDRAURKA
SCHEMBL7211414 0.90 CHEK1 (0.58) CHEK1SRCEGFRKDRAURKA
Hydrochloric Acid SCHEMBL7211395 0.89 CHEK1 (0.57) CHEK1SRCEGFRKDRAURKA
SCHEMBL7206149 0.83 EHMT2 (0.52) CHEK1SRCEGFRKDRKIT
Hydrochloric Acid SCHEMBL7205559 0.82 EHMT2 (0.52) CHEK1SRCEGFRKDRKIT
Hydrochloric Acid SCHEMBL8525709 0.82 CHEK1 (0.50) CHEK1SRCEGFRKDRKIT
SCHEMBL7210071 0.81 CHEK1 (0.52) CHEK1SRCEGFRKDRKIT
SCHEMBL7211365 0.81 CHEK1 (0.52) CHEK1SRCEGFRKDRKIT
SCHEMBL8525237 0.81 MEN1 (0.39) CHEK1SRCEGFRKDRAURKA
Hydrochloric Acid SCHEMBL7205688 0.81 CHEK1 (0.52) CHEK1SRCEGFRKDRKIT

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-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