SCHEMBL7206444

SCHEMBL7206444

O=C1Nc2ccccc2C1c1ncnc2cc(OCCCN3CCOCC3)ccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.77
AURKA O14965 3/20 0.49
AURKB Q96GD4 2/20 0.49
SRC P12931 3/20 0.46
FGFR1 P11362 2/20 0.46
SIGMAR1 Q99720 4/20 0.46
GRM4 Q14833 1/20 0.45
KDR P35968 3/20 0.44
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
BRAF P15056 3/20 0.44
EGFR P00533 1/20 0.44
TNNI3K Q59H18 2/20 0.43
ACHE P22303 1/20 0.42
MET P08581 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 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
SCHEMBL7210129 0.90 CHEK1 (0.75) CHEK1AURKAAURKBSRCFGFR1
SCHEMBL6372123 0.89 CHEK1 (0.78) CHEK1AURKAAURKBSRCFGFR1
Hydrochloric Acid SCHEMBL5499449 0.89 CHEK1 (0.71) CHEK1AURKAAURKBSRCFGFR1
SCHEMBL4510546 0.89 CHEK1 (0.78) CHEK1AURKAAURKBSRCSIGMAR1
Hydrochloric Acid SCHEMBL4504657 0.88 CHEK1 (0.77) CHEK1AURKAAURKBSRCFGFR1
Hydrochloric Acid SCHEMBL4518548 0.88 CHEK1 (0.77) CHEK1AURKAAURKBSRCSIGMAR1
Hydrochloric Acid SCHEMBL5499181 0.88 CHEK1 (0.67) CHEK1AURKAAURKBSRCFGFR1
SCHEMBL5280709 0.88 CHEK1 (0.67) CHEK1AURKAAURKBSRCFGFR1
Hydrochloric Acid SCHEMBL5498930 0.87 CHEK1 (0.66) CHEK1AURKAAURKBSRCFGFR1
SCHEMBL3939280 0.87 CHEK1 (0.88) CHEK1AURKAAURKBSRCSIGMAR1

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