SCHEMBL8575803

SCHEMBL8575803

O=c1c(-c2cccc(Cl)c2)c[nH]c2cc(O)c(O)c(O)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.73
SRC P12931 1/20 0.73
ABL1 P00519 1/20 0.46
ABL2 P42684 1/20 0.46
PIK3CA P42336 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CHEK1 O14757 1/20 0.40
WEE1 P30291 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39
GPR35 Q9HC97 1/20 0.39
ALOX5 P09917 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL8574541 0.84 EGFR (1.00) EGFRSRCABL1ABL2PIK3CA
SCHEMBL4353399 0.80 EGFR (0.66) EGFRSRCABL1ABL2MEN1
SCHEMBL8574371 0.79 EGFR (1.00) EGFRSRCABL1ABL2CHEK1
SCHEMBL4348516 0.79 EGFR (0.58) EGFRSRCABL1ABL2PIK3CA
SCHEMBL8578711 0.71 EGFR (0.78) EGFRSRCABL1ABL2ALOX15
SCHEMBL11190933 0.70 EGFR (0.52) EGFRSRCABL1ABL2PIK3CA
SCHEMBL8572719 0.68 EGFR (0.73) EGFRSRCABL1ABL2ALOX15
SCHEMBL4359046 0.67 EGFR (0.80) EGFRSRCALOX12CHEK1WEE1
SCHEMBL8574510 0.67 EGFR (0.70) EGFRSRCABL1ABL2PIK3CA
SCHEMBL30695578 0.66 ASH1L (0.59) EGFRSRCMEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO claimed