SCHEMBL7206411

SCHEMBL7206411

COc1cc2c(C3C(=O)Nc4ccc(SC)cc43)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
KDM1A O60341 1/20 0.53
SRC P12931 11/20 0.49
EGFR P00533 7/20 0.48
KDR P35968 6/20 0.48
AURKA O14965 1/20 0.46
FLT4 P35916 2/20 0.46
CIT O14578 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
ABCC4 O15439 1/20 0.46
DAPK3 O43293 1/20 0.46
RIPK2 O43353 1/20 0.46
NR1I2 O75469 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK17B O94768 1/20 0.46
STK10 O94804 1/20 0.46
PRKD3 O94806 1/20 0.46
ABCB11 O95342 1/20 0.46
MAP4K4 O95819 1/20 0.46

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 SCHEMBL7205560 0.99 CHEK1 (0.52) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7206973 0.89 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7205355 0.89 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7209868 0.89 EGFR (0.55) CHEK1KDM1ASRCEGFRKDR
Hydrochloric Acid SCHEMBL7211125 0.89 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL6371867 0.89 CHEK1 (0.54) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7205019 0.88 CHEK1 (0.58) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7211414 0.88 CHEK1 (0.58) CHEK1KDM1ASRCEGFRKDR
SCHEMBL7207080 0.88 CHEK1 (0.53) CHEK1KDM1ASRCEGFRKDR
Hydrochloric Acid SCHEMBL7211395 0.88 CHEK1 (0.57) CHEK1KDM1ASRCEGFRKDR

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