SCHEMBL7205685

SCHEMBL7205685

O=C1Nc2cc(C(F)(F)F)ccc2C1c1ncnc2cc(OCCCN3CCOCC3)ccc12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.75
BRAF P15056 2/20 0.46
TNNI3K Q59H18 1/20 0.46
EPHX2 P34913 7/20 0.45
AURKA O14965 3/20 0.43
AURKB Q96GD4 3/20 0.43
RPS6KB1 P23443 1/20 0.43
KDR P35968 2/20 0.42
EGFR P00533 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SRC P12931 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
Hydrochloric Acid SCHEMBL4518548 0.89 CHEK1 (0.77) CHEK1BRAFTNNI3KEPHX2AURKA
SCHEMBL6372123 0.88 CHEK1 (0.78) CHEK1BRAFTNNI3KEPHX2AURKA
SCHEMBL4510546 0.88 CHEK1 (0.78) CHEK1BRAFTNNI3KAURKAAURKB
Hydrochloric Acid SCHEMBL4504657 0.87 CHEK1 (0.77) CHEK1BRAFTNNI3KEPHX2AURKA
SCHEMBL7209528 0.87 CHEK1 (0.58) CHEK1BRAFKDREGFRSRC
SCHEMBL7206444 0.87 CHEK1 (0.77) CHEK1BRAFTNNI3KAURKAAURKB
SCHEMBL7210129 0.86 CHEK1 (0.75) CHEK1BRAFTNNI3KEPHX2AURKA
SCHEMBL7211233 0.86 CHEK1 (1.00) CHEK1BRAFTNNI3KAURKAAURKB
Hydrochloric Acid SCHEMBL5499449 0.83 CHEK1 (0.71) CHEK1BRAFTNNI3KEPHX2AURKA
SCHEMBL3939280 0.81 CHEK1 (0.88) CHEK1BRAFTNNI3KAURKAAURKB

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

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