SCHEMBL8309599

SCHEMBL8309599

COc1cc2c(Nc3ccc(OCc4ccccn4)c(C)c3)ncnc2cc1OC(C)=O

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.84
ERBB2 P04626 3/20 0.84
LCK P06239 2/20 0.58
ERBB4 Q15303 1/20 0.57
KDR P35968 12/20 0.56
MAPK14 Q16539 1/20 0.54
CLK1 P49759 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
RET P07949 1/20 0.54
KIF5B P33176 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL8308774 1.00 EGFR (0.84) EGFRERBB2LCKERBB4KDR
SCHEMBL8306859 0.92 EGFR (1.00) EGFRERBB2LCKERBB4KDR
SCHEMBL7451118 0.91 EGFR (0.72) EGFRERBB2LCKERBB4KDR
Hydrochloric Acid SCHEMBL8309362 0.91 EGFR (0.98) EGFRERBB2LCKERBB4KDR
SCHEMBL29087930 0.90 EGFR (0.71) EGFRERBB2LCKERBB4KDR
SCHEMBL30638091 0.90 EGFR (0.71) EGFRERBB2LCKERBB4KDR
SCHEMBL8307584 0.87 ERBB2 (0.68) EGFRERBB2LCKERBB4
SCHEMBL8309982 0.86 EGFR (0.85) EGFRERBB2LCKERBB4KDR
SCHEMBL8307018 0.86 EGFR (0.85) EGFRERBB2LCKERBB4KDR
SCHEMBL5126379 0.84 EGFR (0.85) EGFRERBB2LCKERBB4KDR

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed