SCHEMBL7205566

SCHEMBL7205566

COc1cc2c(C3C(=O)Nc4ccc(C#N)cc43)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.68
PDGFRB P09619 4/20 0.55
KDM1A O60341 1/20 0.50
SRC P12931 7/20 0.49
EGFR P00533 5/20 0.48
MAP2K1 Q02750 1/20 0.48
KDR P35968 3/20 0.47

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 SCHEMBL7206387 0.99 CHEK1 (0.67) CHEK1PDGFRBKDM1ASRCEGFR
SCHEMBL4519142 0.94 CHEK1 (0.77) CHEK1PDGFRBKDM1ASRCEGFR
SCHEMBL7211883 0.89 CHEK1 (0.53) CHEK1PDGFRB
Hydrochloric Acid SCHEMBL7206178 0.89 CHEK1 (0.52) CHEK1PDGFRB
SCHEMBL7209868 0.89 EGFR (0.55) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7205355 0.89 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7206973 0.89 CHEK1 (0.54) CHEK1KDM1ASRCEGFRMAP2K1
Hydrochloric Acid SCHEMBL7211125 0.88 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL6371867 0.88 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7205019 0.88 CHEK1 (0.58) CHEK1KDM1ASRCEGFRMAP2K1

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